CID 19620105

1006495-98-2

Structural Information

Molecular Formula
C7H11ClN2O2S
SMILES
CC1=C(C=NN1C(C)C)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClN2O2S/c1-5(2)10-6(3)7(4-9-10)13(8,11)12/h4-5H,1-3H3
InChIKey
YFLLOAAKOQLXAO-UHFFFAOYSA-N
Compound name
5-methyl-1-propan-2-ylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02298 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03026 144.1
[M+Na]+ 245.01220 155.5
[M-H]- 221.01570 146.5
[M+NH4]+ 240.05680 163.6
[M+K]+ 260.98614 152.3
[M+H-H2O]+ 205.02024 139.2
[M+HCOO]- 267.02118 155.8
[M+CH3COO]- 281.03683 184.2
[M+Na-2H]- 242.99765 145.2
[M]+ 222.02243 150.0
[M]- 222.02353 150.0
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.