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

99
Patents

245.02191 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.029186 146.3
[M+Na]+ 268.011128 158.6
[M-H]- 244.014634 146.2
[M+NH4]+ 263.055733 165.0
[M+K]+ 283.985068 152.5
[M+H-H2O]+ 228.019170 138.1
[M+HCOO]- 290.020111 159.3
[M+CH3COO]- 304.035761 192.6
[M+Na-2H]- 265.996576 152.9
[M]+ 245.02136142 145.5
[M]- 245.02245858 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