CID 120355

726-91-0

Structural Information

Molecular Formula
C11H13FN3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC(=CC=C2)F)N3CC3
InChI
InChI=1S/C11H13FN3O2P/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
UVWOMNGRMYOHOB-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.07294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08022 171.9
[M+Na]+ 292.06216 178.7
[M-H]- 268.06566 176.6
[M+NH4]+ 287.10676 175.0
[M+K]+ 308.03610 175.0
[M+H-H2O]+ 252.07020 161.7
[M+HCOO]- 314.07114 193.7
[M+CH3COO]- 328.08679 208.0
[M+Na-2H]- 290.04761 171.9
[M]+ 269.07239 174.1
[M]- 269.07349 174.1
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.