CID 6436459

17702-64-6

Structural Information

Molecular Formula
C10H10BrCl2O4P
SMILES
COP(=O)(OC)O/C(=C/Cl)/C1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-12)8-4-3-7(11)5-9(8)13/h3-6H,1-2H3/b10-6+
InChIKey
PZJVGIQCSHKOGJ-UXBLZVDNSA-N
Compound name
[(E)-1-(4-bromo-2-chlorophenyl)-2-chloroethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.8877 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.89498 170.6
[M+Na]+ 396.87692 184.2
[M-H]- 372.88042 176.1
[M+NH4]+ 391.92152 189.1
[M+K]+ 412.85086 171.0
[M+H-H2O]+ 356.88496 170.1
[M+HCOO]- 418.88590 186.5
[M+CH3COO]- 432.90155 207.3
[M+Na-2H]- 394.86237 173.2
[M]+ 373.88715 196.9
[M]- 373.88825 196.9
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.