CID 118992231

2,5-dichloro-3-fluoroisonicotinaldehyde

Structural Information

Molecular Formula
C6H2Cl2FNO
SMILES
C1=C(C(=C(C(=N1)Cl)F)C=O)Cl
InChI
InChI=1S/C6H2Cl2FNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1-2H
InChIKey
CSLLVOMSDPDQQZ-UHFFFAOYSA-N
Compound name
2,5-dichloro-3-fluoropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.94975 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.95703 127.9
[M+Na]+ 215.93897 140.7
[M-H]- 191.94247 129.1
[M+NH4]+ 210.98357 148.0
[M+K]+ 231.91291 135.6
[M+H-H2O]+ 175.94701 122.9
[M+HCOO]- 237.94795 141.7
[M+CH3COO]- 251.96360 180.8
[M+Na-2H]- 213.92442 134.0
[M]+ 192.94920 130.8
[M]- 192.95030 130.8
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.