CID 2737340

1,3,5-trimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClN2O2S
SMILES
CC1=C(C(=NN1C)C)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClN2O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3
InChIKey
QLSAMUCENQZGHN-UHFFFAOYSA-N
Compound name
1,3,5-trimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

208.00732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01460 139.7
[M+Na]+ 230.99654 152.7
[M-H]- 207.00004 142.5
[M+NH4]+ 226.04114 160.1
[M+K]+ 246.97048 149.2
[M+H-H2O]+ 191.00458 135.1
[M+HCOO]- 253.00552 152.7
[M+CH3COO]- 267.02117 181.6
[M+Na-2H]- 228.98199 141.6
[M]+ 208.00677 146.1
[M]- 208.00787 146.1
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