CID 120354

726-90-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9929 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.00018 184.9
[M+Na]+ 351.98212 194.7
[M-H]- 327.98562 192.7
[M+NH4]+ 347.02672 190.0
[M+K]+ 367.95606 183.6
[M+H-H2O]+ 311.99016 180.9
[M+HCOO]- 373.99110 205.2
[M+CH3COO]- 388.00675 213.2
[M+Na-2H]- 349.96757 185.7
[M]+ 328.99235 203.1
[M]- 328.99345 203.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.