CID 1450187

6-fluoro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H6FNO2
SMILES
C1=CC2=C(C=C1F)C=C(C(=O)N2)C=O
InChI
InChI=1S/C10H6FNO2/c11-8-1-2-9-6(4-8)3-7(5-13)10(14)12-9/h1-5H,(H,12,14)
InChIKey
GLNGBIRVXPEKBQ-UHFFFAOYSA-N
Compound name
6-fluoro-2-oxo-1H-quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.03825 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04553 134.1
[M+Na]+ 214.02747 145.6
[M-H]- 190.03097 135.7
[M+NH4]+ 209.07207 153.3
[M+K]+ 230.00141 141.0
[M+H-H2O]+ 174.03551 127.1
[M+HCOO]- 236.03645 155.2
[M+CH3COO]- 250.05210 180.4
[M+Na-2H]- 212.01292 142.0
[M]+ 191.03770 133.4
[M]- 191.03880 133.4
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