CID 79008053

1-phenylbutane-2-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO2S
SMILES
CCC(CC1=CC=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO2S/c1-2-10(14(11,12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey
LRAUICFQVYMASO-UHFFFAOYSA-N
Compound name
1-phenylbutane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03249 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03977 146.7
[M+Na]+ 255.02171 155.1
[M-H]- 231.02521 150.6
[M+NH4]+ 250.06631 166.0
[M+K]+ 270.99565 150.7
[M+H-H2O]+ 215.02975 142.1
[M+HCOO]- 277.03069 159.4
[M+CH3COO]- 291.04634 185.5
[M+Na-2H]- 253.00716 150.2
[M]+ 232.03194 151.4
[M]- 232.03304 151.4
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.