CID 36834

Fletazepam

Structural Information

Molecular Formula
C17H13ClF4N2
SMILES
C1CN(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
InChI
InChI=1S/C17H13ClF4N2/c18-11-5-6-15-13(9-11)16(12-3-1-2-4-14(12)19)23-7-8-24(15)10-17(20,21)22/h1-6,9H,7-8,10H2
InChIKey
CIZCSUNUBQXVFP-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

363
Patents

356.07034 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.077616 169.6
[M+Na]+ 379.059558 180.2
[M-H]- 355.063064 170.6
[M+NH4]+ 374.104163 181.6
[M+K]+ 395.033498 176.8
[M+H-H2O]+ 339.067600 158.0
[M+HCOO]- 401.068541 178.5
[M+CH3COO]- 415.084191 179.1
[M+Na-2H]- 377.045006 173.4
[M]+ 356.06979142 164.3
[M]- 356.07088858 164.3
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