CID 200350

1546-15-2

Structural Information

Molecular Formula
C12H13F3N3O2P
SMILES
C1CN1P(=O)(NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC3
InChI
InChI=1S/C12H13F3N3O2P/c13-12(14,15)10-3-1-2-9(8-10)11(19)16-21(20,17-4-5-17)18-6-7-18/h1-3,8H,4-7H2,(H,16,19,20)
InChIKey
TXIQRNNJDMODBD-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.06976 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07704 157.1
[M+Na]+ 342.05898 163.5
[M+NH4]+ 337.10358 160.6
[M+K]+ 358.03292 164.8
[M-H]- 318.06248 164.9
[M+Na-2H]- 340.04443 164.5
[M]+ 319.06921 161.3
[M]- 319.07031 161.3
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

patents stripe