CID 118843182

2-(trifluoromethoxy)pyridine-3-carboxaldehyde

Structural Information

Molecular Formula
C7H4F3NO2
SMILES
C1=CC(=C(N=C1)OC(F)(F)F)C=O
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)13-6-5(4-12)2-1-3-11-6/h1-4H
InChIKey
YJSBDYNLBXPXEN-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.01941 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.026686 132.3
[M+Na]+ 214.008628 142.4
[M-H]- 190.012134 131.2
[M+NH4]+ 209.053233 150.6
[M+K]+ 229.982568 140.3
[M+H-H2O]+ 174.016670 123.7
[M+HCOO]- 236.017611 152.1
[M+CH3COO]- 250.033261 180.1
[M+Na-2H]- 211.994076 139.8
[M]+ 191.01886142 130.4
[M]- 191.01995858 130.4
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.