CID 61401432

3-(butan-2-yloxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO3S
SMILES
CCC(C)OC1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO3S/c1-3-8(2)14-9-5-4-6-10(7-9)15(11,12)13/h4-8H,3H2,1-2H3
InChIKey
NMPIJVJGPLCDGF-UHFFFAOYSA-N
Compound name
3-butan-2-yloxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03467 152.2
[M+Na]+ 271.01661 164.5
[M+NH4]+ 266.06121 160.2
[M+K]+ 286.99055 156.8
[M-H]- 247.02011 153.0
[M+Na-2H]- 269.00206 157.6
[M]+ 248.02684 155.0
[M]- 248.02794 155.0
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.