CID 21071699

5-nitropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H3ClN2O4S
SMILES
C1=C(C=NC=C1S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H3ClN2O4S/c6-13(11,12)5-1-4(8(9)10)2-7-3-5/h1-3H
InChIKey
UEDNSYQELGGNEN-UHFFFAOYSA-N
Compound name
5-nitropyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

221.95021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95749 137.3
[M+Na]+ 244.93943 146.7
[M-H]- 220.94293 140.5
[M+NH4]+ 239.98403 154.6
[M+K]+ 260.91337 139.3
[M+H-H2O]+ 204.94747 136.9
[M+HCOO]- 266.94841 152.3
[M+CH3COO]- 280.96406 174.4
[M+Na-2H]- 242.92488 145.5
[M]+ 221.94966 139.5
[M]- 221.95076 139.5
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

patents stripe