CID 621515

4-chloro-6-methoxy-7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C11H7ClF3NO
SMILES
COC1=CC2=C(C=CN=C2C=C1C(F)(F)F)Cl
InChI
InChI=1S/C11H7ClF3NO/c1-17-10-4-6-8(12)2-3-16-9(6)5-7(10)11(13,14)15/h2-5H,1H3
InChIKey
WRJAPOKMQVAINS-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-7-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0168 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.024076 149.5
[M+Na]+ 284.006018 161.8
[M-H]- 260.009524 149.5
[M+NH4]+ 279.050623 167.6
[M+K]+ 299.979958 156.2
[M+H-H2O]+ 244.014060 141.2
[M+HCOO]- 306.015001 162.8
[M+CH3COO]- 320.030651 194.5
[M+Na-2H]- 281.991466 156.2
[M]+ 261.01625142 150.2
[M]- 261.01734858 150.2
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

No patent data available for this compound.