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]+ 187.066606 136.8
[M+Na]+ 209.048548 149.6
[M-H]- 185.052054 138.6
[M+NH4]+ 204.093153 154.8
[M+K]+ 225.022488 143.9
[M+H-H2O]+ 169.056590 123.1
[M+HCOO]- 231.057531 154.8
[M+CH3COO]- 245.073181 149.1
[M+Na-2H]- 207.033996 143.9
[M]+ 186.05878142 131.5
[M]- 186.05987858 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.