CID 175685291

Bis(3-bromo-4-methylphenyl) hydrogen phosphate

Structural Information

Molecular Formula
C14H13Br2O4P
SMILES
CC1=C(C=C(C=C1)OP(=O)(O)OC2=CC(=C(C=C2)C)Br)Br
InChI
InChI=1S/C14H13Br2O4P/c1-9-3-5-11(7-13(9)15)19-21(17,18)20-12-6-4-10(2)14(16)8-12/h3-8H,1-2H3,(H,17,18)
InChIKey
KDILWULHHQTAQG-UHFFFAOYSA-N
Compound name
bis(3-bromo-4-methylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.8918 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.89908 185.1
[M+Na]+ 456.88102 195.1
[M-H]- 432.88452 192.3
[M+NH4]+ 451.92562 199.6
[M+K]+ 472.85496 180.1
[M+H-H2O]+ 416.88906 190.0
[M+HCOO]- 478.89000 202.5
[M+CH3COO]- 492.90565 220.7
[M+Na-2H]- 454.86647 186.5
[M]+ 433.89125 221.6
[M]- 433.89235 221.6
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.