CID 6445631

Phosphoric acid, 2-chloro-1-(2,4-dibromophenyl)vinyl diethyl ester

Structural Information

Molecular Formula
C12H14Br2ClO4P
SMILES
CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Br)Br
InChI
InChI=1S/C12H14Br2ClO4P/c1-3-17-20(16,18-4-2)19-12(8-15)10-6-5-9(13)7-11(10)14/h5-8H,3-4H2,1-2H3/b12-8+
InChIKey
KHQZEDPNQABKFN-XYOKQWHBSA-N
Compound name
[(E)-2-chloro-1-(2,4-dibromophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.8685 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.87578 184.5
[M+Na]+ 468.85772 195.5
[M-H]- 444.86122 190.2
[M+NH4]+ 463.90232 200.2
[M+K]+ 484.83166 178.4
[M+H-H2O]+ 428.86576 190.3
[M+HCOO]- 490.86670 198.7
[M+CH3COO]- 504.88235 221.6
[M+Na-2H]- 466.84317 185.8
[M]+ 445.86795 224.0
[M]- 445.86905 224.0
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.