CID 120361

Benzamide, n-(bis(1-aziridinyl)phosphinyl)-3,5-dibromo-

Structural Information

Molecular Formula
C11H12Br2N3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC(=CC(=C2)Br)Br)N3CC3
InChI
InChI=1S/C11H12Br2N3O2P/c12-9-5-8(6-10(13)7-9)11(17)14-19(18,15-1-2-15)16-3-4-16/h5-7H,1-4H2,(H,14,17,18)
InChIKey
YOBOQVZZLAUZNC-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3,5-dibromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.90338 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.91066 189.9
[M+Na]+ 429.89260 199.7
[M-H]- 405.89610 197.7
[M+NH4]+ 424.93720 195.3
[M+K]+ 445.86654 184.4
[M+H-H2O]+ 389.90064 193.2
[M+HCOO]- 451.90158 204.9
[M+CH3COO]- 465.91723 225.2
[M+Na-2H]- 427.87805 189.9
[M]+ 406.90283 220.3
[M]- 406.90393 220.3
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.