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

85
Patents

205.99167 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99895 141.2
[M+Na]+ 228.98089 153.6
[M-H]- 204.98439 146.7
[M+NH4]+ 224.02549 155.8
[M+K]+ 244.95483 148.8
[M+H-H2O]+ 188.98893 135.0
[M+HCOO]- 250.98987 154.7
[M+CH3COO]- 265.00552 181.3
[M+Na-2H]- 226.96634 144.3
[M]+ 205.99112 147.4
[M]- 205.99222 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