CID 72212657

6-fluoroquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H6FNO
SMILES
C1=CC2=NC=C(C=C2C=C1F)C=O
InChI
InChI=1S/C10H6FNO/c11-9-1-2-10-8(4-9)3-7(6-13)5-12-10/h1-6H
InChIKey
PUMHTKUNRZZGSF-UHFFFAOYSA-N
Compound name
6-fluoroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

175.04333 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.050606 131.3
[M+Na]+ 198.032548 142.1
[M-H]- 174.036054 133.9
[M+NH4]+ 193.077153 151.7
[M+K]+ 214.006488 138.4
[M+H-H2O]+ 158.040590 124.0
[M+HCOO]- 220.041531 153.6
[M+CH3COO]- 234.057181 180.5
[M+Na-2H]- 196.017996 140.4
[M]+ 175.04278142 131.3
[M]- 175.04387858 131.3
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