CID 214166

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-p-chloro-

Structural Information

Molecular Formula
C11H13ClN3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC=C(C=C2)Cl)N3CC3
InChI
InChI=1S/C11H13ClN3O2P/c12-10-3-1-9(2-4-10)11(16)13-18(17,14-5-6-14)15-7-8-15/h1-4H,5-8H2,(H,13,16,17)
InChIKey
XIWQBGGSASISSF-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0434 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05068 172.5
[M+Na]+ 308.03262 179.6
[M-H]- 284.03612 178.0
[M+NH4]+ 303.07722 175.8
[M+K]+ 324.00656 175.1
[M+H-H2O]+ 268.04066 163.5
[M+HCOO]- 330.04160 191.3
[M+CH3COO]- 344.05725 208.9
[M+Na-2H]- 306.01807 172.6
[M]+ 285.04285 177.1
[M]- 285.04395 177.1
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.