CID 90486427

881402-42-2

Structural Information

Molecular Formula
C12H7ClFNO
SMILES
C1=CC(=CC=C1C2=NC(=CC(=C2)C=O)Cl)F
InChI
InChI=1S/C12H7ClFNO/c13-12-6-8(7-16)5-11(15-12)9-1-3-10(14)4-2-9/h1-7H
InChIKey
IXGZGRQZKXOFBE-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

235.02002 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.027296 145.2
[M+Na]+ 258.009238 156.7
[M-H]- 234.012744 149.9
[M+NH4]+ 253.053843 162.9
[M+K]+ 273.983178 150.8
[M+H-H2O]+ 218.017280 137.4
[M+HCOO]- 280.018221 163.7
[M+CH3COO]- 294.033871 189.7
[M+Na-2H]- 255.994686 151.3
[M]+ 235.01947142 147.1
[M]- 235.02056858 147.1
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