CID 278840

4-chloro-6-methyl-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C11H7ClF3N
SMILES
CC1=CC2=C(C=C1)N=C(C=C2Cl)C(F)(F)F
InChI
InChI=1S/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
InChIKey
ZLSXNETUGWRDSH-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
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 146.3
[M+Na]+ 268.01113 158.6
[M-H]- 244.01463 146.2
[M+NH4]+ 263.05573 165.0
[M+K]+ 283.98507 152.5
[M+H-H2O]+ 228.01917 138.1
[M+HCOO]- 290.02011 159.3
[M+CH3COO]- 304.03576 192.6
[M+Na-2H]- 265.99658 152.9
[M]+ 245.02136 145.5
[M]- 245.02246 145.5
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