CID 24271785

8-(trifluoromethyl)quinoline-2-carbaldehyde

Structural Information

Molecular Formula
C11H6F3NO
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2)C=O
InChI
InChI=1S/C11H6F3NO/c12-11(13,14)9-3-1-2-7-4-5-8(6-16)15-10(7)9/h1-6H
InChIKey
CLBDBJSLDRECCS-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)quinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.04015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04743 143.4
[M+Na]+ 248.02937 154.3
[M-H]- 224.03287 143.3
[M+NH4]+ 243.07397 161.7
[M+K]+ 264.00331 149.9
[M+H-H2O]+ 208.03741 134.4
[M+HCOO]- 270.03835 161.5
[M+CH3COO]- 284.05400 188.8
[M+Na-2H]- 246.01482 151.3
[M]+ 225.03960 140.8
[M]- 225.04070 140.8
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