CID 67554

Nitrophenylhalon

Structural Information

Molecular Formula
C10H12Cl2NO6P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C10H12Cl2NO6P/c11-5-7-17-20(16,18-8-6-12)19-10-3-1-9(2-4-10)13(14)15/h1-4H,5-8H2
InChIKey
IDERFWIIXARCJS-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl) (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.97794 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.98522 167.4
[M+Na]+ 365.96716 174.5
[M-H]- 341.97066 169.7
[M+NH4]+ 361.01176 181.9
[M+K]+ 381.94110 167.7
[M+H-H2O]+ 325.97520 165.5
[M+HCOO]- 387.97614 187.8
[M+CH3COO]- 401.99179 199.4
[M+Na-2H]- 363.95261 173.4
[M]+ 342.97739 175.9
[M]- 342.97849 175.9
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.