CID 6445632

2-chloro-1-(5-chloro-2-nitrophenyl)ethenyl dimethyl phosphate

Structural Information

Molecular Formula
C10H10Cl2NO6P
SMILES
COP(=O)(OC)O/C(=C/Cl)/C1=C(C=CC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H10Cl2NO6P/c1-17-20(16,18-2)19-10(6-11)8-5-7(12)3-4-9(8)13(14)15/h3-6H,1-2H3/b10-6+
InChIKey
IDPNIACAYBXBTJ-UXBLZVDNSA-N
Compound name
[(E)-2-chloro-1-(5-chloro-2-nitrophenyl)ethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.96228 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.96956 164.4
[M+Na]+ 363.95150 172.5
[M-H]- 339.95500 167.2
[M+NH4]+ 358.99610 179.2
[M+K]+ 379.92544 165.7
[M+H-H2O]+ 323.95954 163.2
[M+HCOO]- 385.96048 184.2
[M+CH3COO]- 399.97613 199.5
[M+Na-2H]- 361.93695 168.9
[M]+ 340.96173 172.0
[M]- 340.96283 172.0
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.