CID 71742306

1060802-34-7

Structural Information

Molecular Formula
C6H3ClFNO
SMILES
C1=C(C(=C(C=N1)F)Cl)C=O
InChI
InChI=1S/C6H3ClFNO/c7-6-4(3-10)1-9-2-5(6)8/h1-3H
InChIKey
BQRNVJRDXKKHRB-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoropyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

158.98872 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99600 123.0
[M+Na]+ 181.97794 134.6
[M-H]- 157.98144 124.6
[M+NH4]+ 177.02254 143.8
[M+K]+ 197.95188 131.0
[M+H-H2O]+ 141.98598 117.2
[M+HCOO]- 203.98692 142.0
[M+CH3COO]- 218.00257 174.9
[M+Na-2H]- 179.96339 130.6
[M]+ 158.98817 124.6
[M]- 158.98927 124.6
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