CID 165693995

2-butyl-6-methoxybenzene-1-sulfonylchloride

Structural Information

Molecular Formula
C11H15ClO3S
SMILES
CCCCC1=C(C(=CC=C1)OC)S(=O)(=O)Cl
InChI
InChI=1S/C11H15ClO3S/c1-3-4-6-9-7-5-8-10(15-2)11(9)16(12,13)14/h5,7-8H,3-4,6H2,1-2H3
InChIKey
TVUZQHFUNSFZJS-UHFFFAOYSA-N
Compound name
2-butyl-6-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.04303 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05031 153.4
[M+Na]+ 285.03225 163.1
[M-H]- 261.03575 157.8
[M+NH4]+ 280.07685 172.1
[M+K]+ 301.00619 158.7
[M+H-H2O]+ 245.04029 148.8
[M+HCOO]- 307.04123 167.0
[M+CH3COO]- 321.05688 192.0
[M+Na-2H]- 283.01770 156.4
[M]+ 262.04248 161.2
[M]- 262.04358 161.2
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.