CID 87694

4-chloro-6-fluoro-2-methylquinoline

Structural Information

Molecular Formula
C10H7ClFN
SMILES
CC1=CC(=C2C=C(C=CC2=N1)F)Cl
InChI
InChI=1S/C10H7ClFN/c1-6-4-9(11)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3
InChIKey
GMMVVJJBQBYMNZ-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

195.0251 Da
Monoisotopic Mass

3.3
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

literature stripe

Patent stripe

patents stripe