CID 118704316

2-fluoro-4-(trifluoromethyl)nicotinaldehyde

Structural Information

Molecular Formula
C7H3F4NO
SMILES
C1=CN=C(C(=C1C(F)(F)F)C=O)F
InChI
InChI=1S/C7H3F4NO/c8-6-4(3-13)5(1-2-12-6)7(9,10)11/h1-3H
InChIKey
HIUCKYJROIFLCL-UHFFFAOYSA-N
Compound name
2-fluoro-4-(trifluoromethyl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.01508 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02236 131.4
[M+Na]+ 216.00430 142.5
[M-H]- 192.00780 129.3
[M+NH4]+ 211.04890 149.9
[M+K]+ 231.97824 139.6
[M+H-H2O]+ 176.01234 122.3
[M+HCOO]- 238.01328 149.9
[M+CH3COO]- 252.02893 182.2
[M+Na-2H]- 213.98975 137.6
[M]+ 193.01453 127.2
[M]- 193.01563 127.2
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.