CID 120477

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-o-bromo-

Structural Information

Molecular Formula
C11H13BrN3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC=CC=C2Br)N3CC3
InChI
InChI=1S/C11H13BrN3O2P/c12-10-4-2-1-3-9(10)11(16)13-18(17,14-5-6-14)15-7-8-15/h1-4H,5-8H2,(H,13,16,17)
InChIKey
LZAJTNKEIAPAMX-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-2-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9929 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.00018 136.0
[M+Na]+ 351.98212 140.5
[M+NH4]+ 347.02672 140.1
[M+K]+ 367.95606 144.8
[M-H]- 327.98562 147.0
[M+Na-2H]- 349.96757 144.9
[M]+ 328.99235 140.3
[M]- 328.99345 140.3
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.