CID 53626260

8-fluoro-5-methyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C10H11FN2O
SMILES
CN1CCC(=O)NC2=C1C=CC(=C2)F
InChI
InChI=1S/C10H11FN2O/c1-13-5-4-10(14)12-8-6-7(11)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKey
DFBCXCZXBWSZDV-UHFFFAOYSA-N
Compound name
7-fluoro-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08554 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09282 136.4
[M+Na]+ 217.07476 146.8
[M+NH4]+ 212.11936 143.2
[M+K]+ 233.04870 142.5
[M-H]- 193.07826 136.0
[M+Na-2H]- 215.06021 141.2
[M]+ 194.08499 137.6
[M]- 194.08609 137.6
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.