CID 793838

77422-24-3

Structural Information

Molecular Formula
C13H9ClO3S
SMILES
C1=CC(=CC=C1C=O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9ClO3S/c14-11-3-7-13(8-4-11)18(16,17)12-5-1-10(9-15)2-6-12/h1-9H
InChIKey
FVBVLYDUSHDJOK-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

279.9961 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00338 156.9
[M+Na]+ 302.98532 167.7
[M-H]- 278.98882 164.7
[M+NH4]+ 298.02992 174.4
[M+K]+ 318.95926 161.8
[M+H-H2O]+ 262.99336 151.2
[M+HCOO]- 324.99430 171.7
[M+CH3COO]- 339.00995 192.9
[M+Na-2H]- 300.97077 161.5
[M]+ 279.99555 162.5
[M]- 279.99665 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe