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 135.3
[M+Na]+ 217.07476 143.1
[M-H]- 193.07826 136.2
[M+NH4]+ 212.11936 151.9
[M+K]+ 233.04870 143.4
[M+H-H2O]+ 177.08280 128.0
[M+HCOO]- 239.08374 151.5
[M+CH3COO]- 253.09939 147.0
[M+Na-2H]- 215.06021 141.0
[M]+ 194.08499 128.8
[M]- 194.08609 128.8
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.