CID 65365020

1-(methoxymethyl)-3,5-dimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClN2O3S
SMILES
CC1=C(C(=NN1COC)C)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClN2O3S/c1-5-7(14(8,11)12)6(2)10(9-5)4-13-3/h4H2,1-3H3
InChIKey
MCXIHAXBGMRYQV-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0179 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02518 147.2
[M+Na]+ 261.00712 159.5
[M-H]- 237.01062 149.7
[M+NH4]+ 256.05172 166.2
[M+K]+ 276.98106 156.2
[M+H-H2O]+ 221.01516 142.2
[M+HCOO]- 283.01610 160.0
[M+CH3COO]- 297.03175 186.6
[M+Na-2H]- 258.99257 148.8
[M]+ 238.01735 155.3
[M]- 238.01845 155.3
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.