CID 11457771

4-chloro-2,3-difluoropyridine

Structural Information

Molecular Formula
C5H2ClF2N
SMILES
C1=CN=C(C(=C1Cl)F)F
InChI
InChI=1S/C5H2ClF2N/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKey
RFFJEZRNZLNVBG-UHFFFAOYSA-N
Compound name
4-chloro-2,3-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

148.98439 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.99167 118.5
[M+Na]+ 171.97361 130.4
[M-H]- 147.97711 118.9
[M+NH4]+ 167.01821 139.8
[M+K]+ 187.94755 126.7
[M+H-H2O]+ 131.98165 112.0
[M+HCOO]- 193.98259 136.4
[M+CH3COO]- 207.99824 173.6
[M+Na-2H]- 169.95906 126.2
[M]+ 148.98384 117.9
[M]- 148.98494 117.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe