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

0
Patents

241.03506 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04234 146.8
[M+Na]+ 264.02428 157.5
[M-H]- 240.02778 146.6
[M+NH4]+ 259.06888 164.3
[M+K]+ 279.99822 153.7
[M+H-H2O]+ 224.03232 137.5
[M+HCOO]- 286.03326 165.0
[M+CH3COO]- 300.04891 190.8
[M+Na-2H]- 262.00973 154.6
[M]+ 241.03451 145.6
[M]- 241.03561 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

No patent data available for this compound.