CID 138040025

2167277-66-7

Structural Information

Molecular Formula
C6H8Cl2N2O2S
SMILES
CC1=NN(C(=C1S(=O)(=O)Cl)CCl)C
InChI
InChI=1S/C6H8Cl2N2O2S/c1-4-6(13(8,11)12)5(3-7)10(2)9-4/h3H2,1-2H3
InChIKey
HFFGFYMAXCSXDX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.96835 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97563 146.2
[M+Na]+ 264.95757 159.1
[M-H]- 240.96107 148.3
[M+NH4]+ 260.00217 165.5
[M+K]+ 280.93151 154.4
[M+H-H2O]+ 224.96561 141.9
[M+HCOO]- 286.96655 153.9
[M+CH3COO]- 300.98220 186.3
[M+Na-2H]- 262.94302 147.3
[M]+ 241.96780 153.0
[M]- 241.96890 153.0
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

No patent data available for this compound.