CID 43134438

1094231-47-6

Structural Information

Molecular Formula
C11H15ClO3S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(C)C
InChI
InChI=1S/C11H15ClO3S/c1-4-15-11-6-5-9(16(12,13)14)7-10(11)8(2)3/h5-8H,4H2,1-3H3
InChIKey
CDCSRFPTTLHNPO-UHFFFAOYSA-N
Compound name
4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.04303 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05031 152.5
[M+Na]+ 285.03225 162.0
[M-H]- 261.03575 157.0
[M+NH4]+ 280.07685 171.1
[M+K]+ 301.00619 158.1
[M+H-H2O]+ 245.04029 148.1
[M+HCOO]- 307.04123 165.1
[M+CH3COO]- 321.05688 192.8
[M+Na-2H]- 283.01770 154.5
[M]+ 262.04248 159.8
[M]- 262.04358 159.8
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.