CID 72212297

3-chloro-6-(trifluoromethyl)picolinaldehyde

Structural Information

Molecular Formula
C7H3ClF3NO
SMILES
C1=CC(=NC(=C1Cl)C=O)C(F)(F)F
InChI
InChI=1S/C7H3ClF3NO/c8-4-1-2-6(7(9,10)11)12-5(4)3-13/h1-3H
InChIKey
SARHUZHQSTUDAM-UHFFFAOYSA-N
Compound name
3-chloro-6-(trifluoromethyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.98552 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99280 133.2
[M+Na]+ 231.97474 145.0
[M-H]- 207.97824 132.3
[M+NH4]+ 227.01934 152.1
[M+K]+ 247.94868 140.6
[M+H-H2O]+ 191.98278 125.7
[M+HCOO]- 253.98372 148.2
[M+CH3COO]- 267.99937 183.1
[M+Na-2H]- 229.96019 139.7
[M]+ 208.98497 132.3
[M]- 208.98607 132.3
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.