CID 24229202

851484-95-2

Structural Information

Molecular Formula
C6H3ClFNO
SMILES
C1=C(C=NC(=C1C=O)Cl)F
InChI
InChI=1S/C6H3ClFNO/c7-6-4(3-10)1-5(8)2-9-6/h1-3H
InChIKey
IMQFWCDQEAIYJV-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoropyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

158.98872 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.995996 123.0
[M+Na]+ 181.977938 134.6
[M-H]- 157.981444 124.6
[M+NH4]+ 177.022543 143.8
[M+K]+ 197.951878 131.0
[M+H-H2O]+ 141.985980 117.2
[M+HCOO]- 203.986921 142.0
[M+CH3COO]- 218.002571 174.9
[M+Na-2H]- 179.963386 130.6
[M]+ 158.98817142 124.6
[M]- 158.98926858 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