CID 75465

2402-95-1

Structural Information

Molecular Formula
C5H4ClNO
SMILES
C1=CC=[N+](C(=C1)Cl)[O-]
InChI
InChI=1S/C5H4ClNO/c6-5-3-1-2-4-7(5)8/h1-4H
InChIKey
WYSRTEVFLQJJDN-UHFFFAOYSA-N
Compound name
2-chloro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

947
Patents

128.99814 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.00542 119.6
[M+Na]+ 151.98736 129.5
[M-H]- 127.99086 120.7
[M+NH4]+ 147.03196 140.3
[M+K]+ 167.96130 122.1
[M+H-H2O]+ 111.99540 119.9
[M+HCOO]- 173.99634 138.8
[M+CH3COO]- 188.01199 159.4
[M+Na-2H]- 149.97281 129.9
[M]+ 128.99759 118.6
[M]- 128.99869 118.6
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

No patent data available for this compound.