CID 105047

Bromfenvinfos

Structural Information

Molecular Formula
C12H14BrCl2O4P
SMILES
CCOP(=O)(OCC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H14BrCl2O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3
InChIKey
ORDKAVSHIKNMAN-UHFFFAOYSA-N
Compound name
[2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

7991
Patents

401.919 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.926276 180.1
[M+Na]+ 424.908218 193.0
[M-H]- 400.911724 185.3
[M+NH4]+ 419.952823 197.6
[M+K]+ 440.882158 179.3
[M+H-H2O]+ 384.916260 179.3
[M+HCOO]- 446.917201 195.4
[M+CH3COO]- 460.932851 212.8
[M+Na-2H]- 422.893666 181.7
[M]+ 401.91845142 207.1
[M]- 401.91954858 207.1
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