CID 20532502

2-methylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H11ClO2S
SMILES
CCC(C)CS(=O)(=O)Cl
InChI
InChI=1S/C5H11ClO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3
InChIKey
JLBKFFNJUYWPMW-UHFFFAOYSA-N
Compound name
2-methylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

170.01683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.024106 130.5
[M+Na]+ 193.006048 139.4
[M-H]- 169.009554 131.6
[M+NH4]+ 188.050653 152.5
[M+K]+ 208.979988 136.8
[M+H-H2O]+ 153.014090 127.5
[M+HCOO]- 215.015031 143.0
[M+CH3COO]- 229.030681 175.3
[M+Na-2H]- 190.991496 133.7
[M]+ 170.01628142 135.5
[M]- 170.01737858 135.5
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