CID 91654369

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

Structural Information

Molecular Formula
C5H6Cl2N2O3S
SMILES
COCN1C(=C(C=N1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C5H6Cl2N2O3S/c1-12-3-9-5(13(7,10)11)4(6)2-8-9/h2H,3H2,1H3
InChIKey
MCKWJPWHQCVJKG-UHFFFAOYSA-N
Compound name
4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.94762 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.954896 144.7
[M+Na]+ 266.936838 157.0
[M-H]- 242.940344 146.6
[M+NH4]+ 261.981443 163.5
[M+K]+ 282.910778 153.1
[M+H-H2O]+ 226.944880 140.2
[M+HCOO]- 288.945821 153.0
[M+CH3COO]- 302.961471 184.2
[M+Na-2H]- 264.922286 147.1
[M]+ 243.94707142 152.2
[M]- 243.94816858 152.2
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.