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 145.0
[M+Na]+ 242.99654 157.8
[M-H]- 219.00004 150.6
[M+NH4]+ 238.04114 159.4
[M+K]+ 258.97048 152.7
[M+H-H2O]+ 203.00458 139.0
[M+HCOO]- 265.00552 158.1
[M+CH3COO]- 279.02117 185.2
[M+Na-2H]- 240.98199 147.1
[M]+ 220.00677 152.0
[M]- 220.00787 152.0
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.