CID 75941

O-(4-bromo-2,5-dichlorophenyl) o-methyl ethylphosphonothioate

Structural Information

Molecular Formula
C9H10BrCl2O2PS
SMILES
CCP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl
InChI
InChI=1S/C9H10BrCl2O2PS/c1-3-15(16,13-2)14-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3
InChIKey
TWNWPCMKTMUIBD-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-dichlorophenoxy)-ethyl-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.86996 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.87724 159.6
[M+Na]+ 384.85918 174.7
[M-H]- 360.86268 166.0
[M+NH4]+ 379.90378 179.7
[M+K]+ 400.83312 160.1
[M+H-H2O]+ 344.86722 159.9
[M+HCOO]- 406.86816 171.8
[M+CH3COO]- 420.88381 206.0
[M+Na-2H]- 382.84463 161.1
[M]+ 361.86941 186.1
[M]- 361.87051 186.1
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.