CID 4767

Phenothrin

Structural Information

Molecular Formula
C23H26O3
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
InChIKey
SBNFWQZLDJGRLK-UHFFFAOYSA-N
Compound name
(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

145
References

32963
Patents

350.1882 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19548 181.9
[M+Na]+ 373.17742 189.8
[M-H]- 349.18092 192.0
[M+NH4]+ 368.22202 192.3
[M+K]+ 389.15136 186.1
[M+H-H2O]+ 333.18546 174.3
[M+HCOO]- 395.18640 202.6
[M+CH3COO]- 409.20205 217.0
[M+Na-2H]- 371.16287 182.6
[M]+ 350.18765 188.2
[M]- 350.18875 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe