CID 6454452

62662-88-8

Structural Information

Molecular Formula
C14H10FNO
SMILES
C1C2=C(C=C(C=C2)F)NC(=O)C3=CC=CC=C31
InChI
InChI=1S/C14H10FNO/c15-11-6-5-10-7-9-3-1-2-4-12(9)14(17)16-13(10)8-11/h1-6,8H,7H2,(H,16,17)
InChIKey
YQTZBLXJYKSQBS-UHFFFAOYSA-N
Compound name
3-fluoro-5,11-dihydrobenzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07465 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.081926 144.0
[M+Na]+ 250.063868 152.7
[M-H]- 226.067374 147.3
[M+NH4]+ 245.108473 161.6
[M+K]+ 266.037808 151.1
[M+H-H2O]+ 210.071910 138.0
[M+HCOO]- 272.072851 161.5
[M+CH3COO]- 286.088501 156.0
[M+Na-2H]- 248.049316 151.5
[M]+ 227.07410142 138.6
[M]- 227.07519858 138.6
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.