CID 11094963

3-fluoro-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)F
InChI
InChI=1S/C9H6FNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,(H,11,12)
InChIKey
FRFSUUWVTVDAJG-UHFFFAOYSA-N
Compound name
3-fluoro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3395
References

35498
Patents

163.04333 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.050606 127.6
[M+Na]+ 186.032548 138.3
[M-H]- 162.036054 128.9
[M+NH4]+ 181.077153 147.7
[M+K]+ 202.006488 134.0
[M+H-H2O]+ 146.040590 120.7
[M+HCOO]- 208.041531 148.7
[M+CH3COO]- 222.057181 141.5
[M+Na-2H]- 184.017996 136.7
[M]+ 163.04278142 125.4
[M]- 163.04387858 125.4
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