CID 24975118

2,3-dimethylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO2S
SMILES
CC(C)C(C)CS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3
InChIKey
MIOSINMTJQXFPB-UHFFFAOYSA-N
Compound name
2,3-dimethylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

184.03249 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03977 134.3
[M+Na]+ 207.02171 142.4
[M-H]- 183.02521 135.3
[M+NH4]+ 202.06631 155.7
[M+K]+ 222.99565 140.1
[M+H-H2O]+ 167.02975 131.2
[M+HCOO]- 229.03069 145.5
[M+CH3COO]- 243.04634 179.1
[M+Na-2H]- 205.00716 136.0
[M]+ 184.03194 139.1
[M]- 184.03304 139.1
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