CID 4736805

4-chloro-2-methyl-7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C11H7ClF3N
SMILES
CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)Cl
InChI
InChI=1S/C11H7ClF3N/c1-6-4-9(12)8-3-2-7(11(13,14)15)5-10(8)16-6/h2-5H,1H3
InChIKey
KQXIMYKBHAMAAM-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-7-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

245.02191 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.02919 149.4
[M+Na]+ 268.01113 162.0
[M+NH4]+ 263.05573 156.5
[M+K]+ 283.98507 154.9
[M-H]- 244.01463 147.7
[M+Na-2H]- 265.99658 155.0
[M]+ 245.02136 150.9
[M]- 245.02246 150.9
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