CID 122480589

1-cyclopropyl-1h-pyrazole-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClN2O2S
SMILES
C1CC1N2C=CC(=N2)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O2S/c7-12(10,11)6-3-4-9(8-6)5-1-2-5/h3-5H,1-2H2
InChIKey
PMUWFRGFSFXHQJ-UHFFFAOYSA-N
Compound name
1-cyclopropylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

205.99167 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.998946 141.2
[M+Na]+ 228.980888 153.6
[M-H]- 204.984394 146.7
[M+NH4]+ 224.025493 155.8
[M+K]+ 244.954828 148.8
[M+H-H2O]+ 188.988930 135.0
[M+HCOO]- 250.989871 154.7
[M+CH3COO]- 265.005521 181.3
[M+Na-2H]- 226.966336 144.3
[M]+ 205.99112142 147.4
[M]- 205.99221858 147.4
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

patents stripe