CID 6444546

6412-75-5

Structural Information

Molecular Formula
C10H9BrCl3O4P
SMILES
COP(=O)(OC)O/C(=C/Cl)/C1=CC(=C(C=C1Br)Cl)Cl
InChI
InChI=1S/C10H9BrCl3O4P/c1-16-19(15,17-2)18-10(5-12)6-3-8(13)9(14)4-7(6)11/h3-5H,1-2H3/b10-5+
InChIKey
FNTUXPCTRYBZLK-BJMVGYQFSA-N
Compound name
[(E)-1-(2-bromo-4,5-dichlorophenyl)-2-chloroethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.84875 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.85603 171.9
[M+Na]+ 430.83797 186.5
[M-H]- 406.84147 176.9
[M+NH4]+ 425.88257 189.5
[M+K]+ 446.81191 172.6
[M+H-H2O]+ 390.84601 172.4
[M+HCOO]- 452.84695 182.8
[M+CH3COO]- 466.86260 212.9
[M+Na-2H]- 428.82342 173.5
[M]+ 407.84820 198.1
[M]- 407.84930 198.1
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.