CID 2756268

144006-69-9

Structural Information

Molecular Formula
C14H11ClO3S
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C14H11ClO3S/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)19(15,17)18/h2-9H,1H3
InChIKey
RQXCOVHVSGLWBA-UHFFFAOYSA-N
Compound name
4-(4-acetylphenyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.01175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.019026 160.4
[M+Na]+ 317.000968 170.4
[M-H]- 293.004474 168.1
[M+NH4]+ 312.045573 177.3
[M+K]+ 332.974908 164.9
[M+H-H2O]+ 277.009010 154.7
[M+HCOO]- 339.009951 173.9
[M+CH3COO]- 353.025601 196.7
[M+Na-2H]- 314.986416 163.6
[M]+ 294.01120142 165.8
[M]- 294.01229858 165.8
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.