CID 17039581

4-chloro-2-methyl-8-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C11H7ClF3N
SMILES
CC1=CC(=C2C=CC=C(C2=N1)C(F)(F)F)Cl
InChI
InChI=1S/C11H7ClF3N/c1-6-5-9(12)7-3-2-4-8(10(7)16-6)11(13,14)15/h2-5H,1H3
InChIKey
FHGWTLJPECDLOJ-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-8-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

literature stripe

Patent stripe

patents stripe