CID 75481045

1-(methoxymethyl)-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H7ClN2O3S
SMILES
COCN1C(=CC=N1)S(=O)(=O)Cl
InChI
InChI=1S/C5H7ClN2O3S/c1-11-4-8-5(2-3-7-8)12(6,9)10/h2-3H,4H2,1H3
InChIKey
YEDQYIREWASRGU-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)pyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

209.98659 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99387 139.2
[M+Na]+ 232.97581 150.8
[M-H]- 208.97931 141.4
[M+NH4]+ 228.02041 158.9
[M+K]+ 248.94975 148.0
[M+H-H2O]+ 192.98385 134.0
[M+HCOO]- 254.98479 152.8
[M+CH3COO]- 269.00044 178.3
[M+Na-2H]- 230.96126 143.0
[M]+ 209.98604 145.9
[M]- 209.98714 145.9
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