CID 53417037

2-ethylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO2S
SMILES
CCC(CC)CS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO2S/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKey
YECMZAFVLJVACL-UHFFFAOYSA-N
Compound name
2-ethylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03249 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03977 135.1
[M+Na]+ 207.02171 143.5
[M-H]- 183.02521 136.0
[M+NH4]+ 202.06631 156.5
[M+K]+ 222.99565 140.7
[M+H-H2O]+ 167.02975 131.9
[M+HCOO]- 229.03069 147.3
[M+CH3COO]- 243.04634 178.3
[M+Na-2H]- 205.00716 137.8
[M]+ 184.03194 140.5
[M]- 184.03304 140.5
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

No patent data available for this compound.