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

34
Patents

170.01683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02411 129.6
[M+Na]+ 193.00605 138.2
[M-H]- 169.00955 130.8
[M+NH4]+ 188.05065 151.6
[M+K]+ 208.97999 136.2
[M+H-H2O]+ 153.01409 126.8
[M+HCOO]- 215.01503 141.2
[M+CH3COO]- 229.03068 176.1
[M+Na-2H]- 190.99150 131.9
[M]+ 170.01628 134.1
[M]- 170.01738 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