CID 17039810

2-chloro-6-fluoro-3-methylquinoline

Structural Information

Molecular Formula
C10H7ClFN
SMILES
CC1=CC2=C(C=CC(=C2)F)N=C1Cl
InChI
InChI=1S/C10H7ClFN/c1-6-4-7-5-8(12)2-3-9(7)13-10(6)11/h2-5H,1H3
InChIKey
KPVOTWBHWHCHSB-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

195.0251 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03238 134.8
[M+Na]+ 218.01432 147.0
[M-H]- 194.01782 137.3
[M+NH4]+ 213.05892 155.6
[M+K]+ 233.98826 141.7
[M+H-H2O]+ 178.02236 128.4
[M+HCOO]- 240.02330 152.0
[M+CH3COO]- 254.03895 149.0
[M+Na-2H]- 215.99977 142.7
[M]+ 195.02455 136.5
[M]- 195.02565 136.5
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

patents stripe