CID 5839735

37913-83-0

Structural Information

Molecular Formula
C10H9Br3ClO4P
SMILES
COP(=O)(OC)O/C(=C/Cl)/C1=CC(=C(C=C1Br)Br)Br
InChI
InChI=1S/C10H9Br3ClO4P/c1-16-19(15,17-2)18-10(5-14)6-3-8(12)9(13)4-7(6)11/h3-5H,1-2H3/b10-5+
InChIKey
SDROAVDGQHIECY-BJMVGYQFSA-N
Compound name
[(E)-2-chloro-1-(2,4,5-tribromophenyl)ethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.7477 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.75498 178.6
[M+Na]+ 518.73692 187.4
[M-H]- 494.74042 183.6
[M+NH4]+ 513.78152 191.2
[M+K]+ 534.71086 170.6
[M+H-H2O]+ 478.74496 191.5
[M+HCOO]- 540.74590 187.2
[M+CH3COO]- 554.76155 231.7
[M+Na-2H]- 516.72237 179.1
[M]+ 495.74715 222.5
[M]- 495.74825 222.5
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.