CID 75481453

8-fluoro-6-methylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H7FN2
SMILES
CC1=CC2=CC(=CN=C2C(=C1)F)C#N
InChI
InChI=1S/C11H7FN2/c1-7-2-9-4-8(5-13)6-14-11(9)10(12)3-7/h2-4,6H,1H3
InChIKey
XPOJHFTTYZWYRA-UHFFFAOYSA-N
Compound name
8-fluoro-6-methylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05933 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06661 136.8
[M+Na]+ 209.04855 149.6
[M-H]- 185.05205 138.6
[M+NH4]+ 204.09315 154.8
[M+K]+ 225.02249 143.9
[M+H-H2O]+ 169.05659 123.1
[M+HCOO]- 231.05753 154.8
[M+CH3COO]- 245.07318 149.1
[M+Na-2H]- 207.03400 143.9
[M]+ 186.05878 131.5
[M]- 186.05988 131.5
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.