CID 14761470

131747-62-1

Structural Information

Molecular Formula
C7H4F3NO
SMILES
C1=CC(=C(N=C1)C=O)C(F)(F)F
InChI
InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
InChIKey
FIIIEUQXYKDPRD-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

175.0245 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03178 129.0
[M+Na]+ 198.01372 139.2
[M-H]- 174.01722 128.0
[M+NH4]+ 193.05832 148.1
[M+K]+ 213.98766 136.7
[M+H-H2O]+ 158.02176 120.7
[M+HCOO]- 220.02270 148.6
[M+CH3COO]- 234.03835 178.1
[M+Na-2H]- 195.99917 136.6
[M]+ 175.02395 125.7
[M]- 175.02505 125.7
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