Cyhalothrin (C23H19ClF3NO3)

Structural Information

Molecular Formula

SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C

InChI

InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-

InChIKey

ZXQYGBMAQZUVMI-UNOMPAQXSA-N

Compound name

[cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	450.10784	189.1
[M+Na]+	472.08978	204.1
[M-H]-	448.09328	195.4
[M+NH4]+	467.13438	197.1
[M+K]+	488.06372	193.6
[M+H-H2O]+	432.09782	177.1
[M+HCOO]-	494.09876	199.6
[M+CH3COO]-	508.11441	236.4
[M+Na-2H]-	470.07523	189.7
[M]+	449.10001	189.7
[M]-	449.10111	189.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.10784

189.1

[M+Na]+

472.08978

204.1

[M-H]-

448.09328

195.4

[M+NH4]+

467.13438

197.1

[M+K]+

488.06372

193.6

[M+H-H2O]+

432.09782

177.1

[M+HCOO]-

494.09876

199.6

[M+CH3COO]-

508.11441

236.4

[M+Na-2H]-

470.07523

189.7

[M]+

449.10001

189.7

[M]-

449.10111

189.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cyhalothrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe