CID 103080484

1-methyl-4-nitro-1h-pyrazole-3-sulfonyl chloride

Structural Information

Molecular Formula
C4H4ClN3O4S
SMILES
CN1C=C(C(=N1)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4H4ClN3O4S/c1-7-2-3(8(9)10)4(6-7)13(5,11)12/h2H,1H3
InChIKey
PDISLMIKBXKVIQ-UHFFFAOYSA-N
Compound name
1-methyl-4-nitropyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

224.9611 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96838 139.9
[M+Na]+ 247.95032 151.3
[M+NH4]+ 242.99492 146.1
[M+K]+ 263.92426 150.3
[M-H]- 223.95382 139.3
[M+Na-2H]- 245.93577 143.3
[M]+ 224.96055 141.7
[M]- 224.96165 141.7
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