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]+ 263.050306 152.5
[M+Na]+ 285.032248 162.0
[M-H]- 261.035754 157.0
[M+NH4]+ 280.076853 171.1
[M+K]+ 301.006188 158.1
[M+H-H2O]+ 245.040290 148.1
[M+HCOO]- 307.041231 165.1
[M+CH3COO]- 321.056881 192.8
[M+Na-2H]- 283.017696 154.5
[M]+ 262.04248142 159.8
[M]- 262.04357858 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.