CID 2762992

2-(trifluoromethyl)pyridine-4-carbaldehyde

Structural Information

Molecular Formula
C7H4F3NO
SMILES
C1=CN=C(C=C1C=O)C(F)(F)F
InChI
InChI=1S/C7H4F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-4H
InChIKey
CBHUHUQPLDWHIO-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

175.0245 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.031776 129.0
[M+Na]+ 198.013718 139.2
[M-H]- 174.017224 128.0
[M+NH4]+ 193.058323 148.1
[M+K]+ 213.987658 136.7
[M+H-H2O]+ 158.021760 120.7
[M+HCOO]- 220.022701 148.6
[M+CH3COO]- 234.038351 178.1
[M+Na-2H]- 195.999166 136.6
[M]+ 175.02395142 125.7
[M]- 175.02504858 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