CID 96356

Phosphoramide mustard

Structural Information

Molecular Formula
C4H11Cl2N2O2P
SMILES
C(CCl)N(CCCl)P(=O)(N)O
InChI
InChI=1S/C4H11Cl2N2O2P/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2,(H3,7,9,10)
InChIKey
RJXQSIKBGKVNRT-UHFFFAOYSA-N
Compound name
amino-[bis(2-chloroethyl)amino]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

123
References

1139
Patents

219.99352 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00080 143.6
[M+Na]+ 242.98274 151.2
[M-H]- 218.98624 142.2
[M+NH4]+ 238.02734 163.1
[M+K]+ 258.95668 147.9
[M+H-H2O]+ 202.99078 138.7
[M+HCOO]- 264.99172 163.2
[M+CH3COO]- 279.00737 189.9
[M+Na-2H]- 240.96819 146.0
[M]+ 219.99297 146.9
[M]- 219.99407 146.9
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.