CID 60911640

3,3-dimethylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO2S
SMILES
CC(C)(C)CCS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3
InChIKey
WXFKSAMQYRGPCU-UHFFFAOYSA-N
Compound name
3,3-dimethylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

184.03249 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.039766 135.9
[M+Na]+ 207.021708 145.0
[M-H]- 183.025214 137.1
[M+NH4]+ 202.066313 157.6
[M+K]+ 222.995648 142.2
[M+H-H2O]+ 167.029750 133.1
[M+HCOO]- 229.030691 147.6
[M+CH3COO]- 243.046341 177.2
[M+Na-2H]- 205.007156 140.5
[M]+ 184.03194142 141.3
[M]- 184.03303858 141.3
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