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 132.2
[M+Na]+ 216.04313 140.0
[M-H]- 192.04663 134.5
[M+NH4]+ 211.08773 150.0
[M+K]+ 232.01707 140.6
[M+H-H2O]+ 176.05117 126.4
[M+HCOO]- 238.05211 150.1
[M+CH3COO]- 252.06776 182.8
[M+Na-2H]- 214.02858 138.0
[M]+ 193.05336 125.9
[M]- 193.05446 125.9
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