CID 23440936

7-fluoro-2,3,4,5-tetrahydro-1h-1-benzazepine-2,5-dione

Structural Information

Molecular Formula
C10H8FNO2
SMILES
C1CC(=O)NC2=C(C1=O)C=C(C=C2)F
InChI
InChI=1S/C10H8FNO2/c11-6-1-2-8-7(5-6)9(13)3-4-10(14)12-8/h1-2,5H,3-4H2,(H,12,14)
InChIKey
JLWCRRWZBRCFDJ-UHFFFAOYSA-N
Compound name
7-fluoro-3,4-dihydro-1H-1-benzazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

193.05391 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06119 134.6
[M+Na]+ 216.04313 144.7
[M+NH4]+ 211.08773 141.3
[M+K]+ 232.01707 140.6
[M-H]- 192.04663 134.2
[M+Na-2H]- 214.02858 139.3
[M]+ 193.05336 135.7
[M]- 193.05446 135.7
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