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 149.4
[M+Na]+ 255.02171 161.8
[M+NH4]+ 250.06631 158.0
[M+K]+ 270.99565 153.4
[M-H]- 231.02521 150.6
[M+Na-2H]- 253.00716 155.4
[M]+ 232.03194 152.3
[M]- 232.03304 152.3
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.