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

33
Patents

195.0251 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.032376 134.8
[M+Na]+ 218.014318 147.0
[M-H]- 194.017824 137.3
[M+NH4]+ 213.058923 155.6
[M+K]+ 233.988258 141.7
[M+H-H2O]+ 178.022360 128.4
[M+HCOO]- 240.023301 152.0
[M+CH3COO]- 254.038951 149.0
[M+Na-2H]- 215.999766 142.7
[M]+ 195.02455142 136.5
[M]- 195.02564858 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