CID 62880285

4-(tert-butylsulfanyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO2S2
SMILES
CC(C)(C)SC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO2S2/c1-10(2,3)14-8-4-6-9(7-5-8)15(11,12)13/h4-7H,1-3H3
InChIKey
DXPNIVUKEPLKDZ-UHFFFAOYSA-N
Compound name
4-tert-butylsulfanylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.00455 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01183 154.0
[M+Na]+ 286.99377 163.4
[M-H]- 262.99727 158.2
[M+NH4]+ 282.03837 172.5
[M+K]+ 302.96771 157.8
[M+H-H2O]+ 247.00181 149.7
[M+HCOO]- 309.00275 160.6
[M+CH3COO]- 323.01840 190.3
[M+Na-2H]- 284.97922 156.6
[M]+ 264.00400 159.5
[M]- 264.00510 159.5
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.