CID 21354490

3-methylbutane-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H11ClO2S
SMILES
CC(C)C(C)S(=O)(=O)Cl
InChI
InChI=1S/C5H11ClO2S/c1-4(2)5(3)9(6,7)8/h4-5H,1-3H3
InChIKey
VLNMHTQPLCZFKY-UHFFFAOYSA-N
Compound name
3-methylbutane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

170.01683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.024106 129.6
[M+Na]+ 193.006048 138.2
[M-H]- 169.009554 130.8
[M+NH4]+ 188.050653 151.6
[M+K]+ 208.979988 136.2
[M+H-H2O]+ 153.014090 126.8
[M+HCOO]- 215.015031 141.1
[M+CH3COO]- 229.030681 176.1
[M+Na-2H]- 190.991496 131.9
[M]+ 170.01628142 134.1
[M]- 170.01737858 134.1
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