CID 16795

2285-16-7

Structural Information

Molecular Formula
C16H11F3N2O
SMILES
C1C(=O)NC2=C(C=C(C=C2)C(F)(F)F)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H11F3N2O/c17-16(18,19)11-6-7-13-12(8-11)15(20-9-14(22)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)
InChIKey
UUBMOUNXQFMBQF-UHFFFAOYSA-N
Compound name
5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

69
Patents

304.08234 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08962 162.8
[M+Na]+ 327.07156 172.5
[M+NH4]+ 322.11616 167.5
[M+K]+ 343.04550 167.8
[M-H]- 303.07506 161.3
[M+Na-2H]- 325.05701 168.5
[M]+ 304.08179 163.6
[M]- 304.08289 163.6
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

patents stripe