CID 658990

3,4-dihydro-7-fluoro-4-methyl-1h-1,4-benzodiazepine-2,5-dione

Structural Information

Molecular Formula
C10H9FN2O2
SMILES
CN1CC(=O)NC2=C(C1=O)C=C(C=C2)F
InChI
InChI=1S/C10H9FN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKey
BKHGZIQXTHAVNJ-UHFFFAOYSA-N
Compound name
7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

52
Patents

208.0648 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07208 137.3
[M+Na]+ 231.05402 146.1
[M-H]- 207.05752 138.5
[M+NH4]+ 226.09862 153.5
[M+K]+ 247.02796 146.6
[M+H-H2O]+ 191.06206 130.0
[M+HCOO]- 253.06300 153.8
[M+CH3COO]- 267.07865 186.5
[M+Na-2H]- 229.03947 142.3
[M]+ 208.06425 131.8
[M]- 208.06535 131.8
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