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-1-methylpyrazole-5-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]+ 221.014596 145.0
[M+Na]+ 242.996538 157.8
[M-H]- 219.000044 150.6
[M+NH4]+ 238.041143 159.4
[M+K]+ 258.970478 152.7
[M+H-H2O]+ 203.004580 139.0
[M+HCOO]- 265.005521 158.1
[M+CH3COO]- 279.021171 185.2
[M+Na-2H]- 240.981986 147.1
[M]+ 220.00677142 152.0
[M]- 220.00786858 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.