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]+ 236.02730 145.2
[M+Na]+ 258.00924 156.7
[M-H]- 234.01274 149.9
[M+NH4]+ 253.05384 162.9
[M+K]+ 273.98318 150.8
[M+H-H2O]+ 218.01728 137.4
[M+HCOO]- 280.01822 163.7
[M+CH3COO]- 294.03387 189.7
[M+Na-2H]- 255.99469 151.3
[M]+ 235.01947 147.1
[M]- 235.02057 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