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

25
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 140.7
[M+Na]+ 247.95032 151.3
[M-H]- 223.95382 143.2
[M+NH4]+ 242.99492 158.6
[M+K]+ 263.92426 144.5
[M+H-H2O]+ 207.95836 140.3
[M+HCOO]- 269.95930 155.3
[M+CH3COO]- 283.97495 175.3
[M+Na-2H]- 245.93577 146.8
[M]+ 224.96055 143.7
[M]- 224.96165 143.7
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