CID 53621969

6-nitropyridine-3-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

221.95021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.957486 137.3
[M+Na]+ 244.939428 146.7
[M-H]- 220.942934 140.5
[M+NH4]+ 239.984033 154.6
[M+K]+ 260.913368 139.3
[M+H-H2O]+ 204.947470 136.9
[M+HCOO]- 266.948411 152.3
[M+CH3COO]- 280.964061 174.4
[M+Na-2H]- 242.924876 145.5
[M]+ 221.94966142 139.5
[M]- 221.95075858 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