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-2-(methoxymethyl)pyrazole-3-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]+ 244.95490 144.7
[M+Na]+ 266.93684 157.0
[M-H]- 242.94034 146.6
[M+NH4]+ 261.98144 163.5
[M+K]+ 282.91078 153.1
[M+H-H2O]+ 226.94488 140.2
[M+HCOO]- 288.94582 153.0
[M+CH3COO]- 302.96147 184.2
[M+Na-2H]- 264.92229 147.1
[M]+ 243.94707 152.2
[M]- 243.94817 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.

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No patent data available for this compound.