CID 130096454

1805321-20-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0245 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03178 127.9
[M+Na]+ 198.01372 138.2
[M-H]- 174.01722 126.9
[M+NH4]+ 193.05832 147.0
[M+K]+ 213.98766 135.8
[M+H-H2O]+ 158.02176 119.3
[M+HCOO]- 220.02270 148.1
[M+CH3COO]- 234.03835 180.5
[M+Na-2H]- 195.99917 132.9
[M]+ 175.02395 125.0
[M]- 175.02505 125.0
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.