CID 40585

Deltamethrin

Structural Information

Molecular Formula
C22H19Br2NO3
SMILES
CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
InChI
InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
InChIKey
OWZREIFADZCYQD-NSHGMRRFSA-N
Compound name
trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

3181
References

63182
Patents

502.97318 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.98046 191.4
[M+Na]+ 525.96240 206.2
[M-H]- 501.96590 200.2
[M+NH4]+ 521.00700 201.7
[M+K]+ 541.93634 187.3
[M+H-H2O]+ 485.97044 193.9
[M+HCOO]- 547.97138 206.5
[M+CH3COO]- 561.98703 238.5
[M+Na-2H]- 523.94785 192.9
[M]+ 502.97263 221.3
[M]- 502.97373 221.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.