CID 12287

3-chloropyridine

Structural Information

Molecular Formula
C5H4ClN
SMILES
C1=CC(=CN=C1)Cl
InChI
InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey
PWRBCZZQRRPXAB-UHFFFAOYSA-N
Compound name
3-chloropyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

14080
Patents

113.00323 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.01051 115.1
[M+Na]+ 135.99245 125.0
[M-H]- 111.99595 117.5
[M+NH4]+ 131.03705 137.4
[M+K]+ 151.96639 122.2
[M+H-H2O]+ 96.000490 110.1
[M+HCOO]- 158.00143 135.1
[M+CH3COO]- 172.01708 166.0
[M+Na-2H]- 133.97790 125.3
[M]+ 113.00268 115.9
[M]- 113.00378 115.9
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