CID 119094072

904369-14-8

Structural Information

Molecular Formula
C11H6F3NO2
SMILES
C1=CC2=C(C=CC(=N2)C=O)C=C1OC(F)(F)F
InChI
InChI=1S/C11H6F3NO2/c12-11(13,14)17-9-3-4-10-7(5-9)1-2-8(6-16)15-10/h1-6H
InChIKey
JERPQBAYUDUSAQ-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)quinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.03506 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.042336 146.8
[M+Na]+ 264.024278 157.5
[M-H]- 240.027784 146.6
[M+NH4]+ 259.068883 164.3
[M+K]+ 279.998218 153.7
[M+H-H2O]+ 224.032320 137.5
[M+HCOO]- 286.033261 165.0
[M+CH3COO]- 300.048911 190.8
[M+Na-2H]- 262.009726 154.6
[M]+ 241.03451142 145.6
[M]- 241.03560858 145.6
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