CID 125424312

4-cyclopropyl-1-methyl-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClN2O2S
SMILES
CN1C(=C(C=N1)C2CC2)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClN2O2S/c1-10-7(13(8,11)12)6(4-9-10)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
YGFCRYAHUYQBHI-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-methylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00732 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01460 149.9
[M+Na]+ 242.99654 163.1
[M+NH4]+ 238.04114 158.1
[M+K]+ 258.97048 158.8
[M-H]- 219.00004 157.1
[M+Na-2H]- 240.98199 156.9
[M]+ 220.00677 155.5
[M]- 220.00787 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.