CID 25418469

7-fluoro-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine

Structural Information

Molecular Formula
C9H11FN2
SMILES
C1CNC2=C(CN1)C=C(C=C2)F
InChI
InChI=1S/C9H11FN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
InChIKey
NNXGSKKLUSOLHT-UHFFFAOYSA-N
Compound name
7-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09790 129.0
[M+Na]+ 189.07984 138.8
[M+NH4]+ 184.12444 136.4
[M+K]+ 205.05378 134.3
[M-H]- 165.08334 128.7
[M+Na-2H]- 187.06529 134.5
[M]+ 166.09007 130.1
[M]- 166.09117 130.1
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

patents stripe