CID 2737352

4-butylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO2S
SMILES
CCCCC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3
InChIKey
OVFZELSNOHIDEF-UHFFFAOYSA-N
Compound name
4-butylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

232.03249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03977 146.4
[M+Na]+ 255.02171 156.0
[M-H]- 231.02521 150.7
[M+NH4]+ 250.06631 166.2
[M+K]+ 270.99565 151.2
[M+H-H2O]+ 215.02975 142.0
[M+HCOO]- 277.03069 160.1
[M+CH3COO]- 291.04634 185.8
[M+Na-2H]- 253.00716 150.3
[M]+ 232.03194 152.1
[M]- 232.03304 152.1
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