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

14546
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.