CID 16673

4-biphenylsulfonic acid

Structural Information

Molecular Formula
C12H10O3S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C12H10O3S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)
InChIKey
XDTYUYVIGLIFCW-UHFFFAOYSA-N
Compound name
4-phenylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1086
Patents

234.03506 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04234 148.0
[M+Na]+ 257.02428 157.0
[M-H]- 233.02778 154.2
[M+NH4]+ 252.06888 165.6
[M+K]+ 272.99822 152.6
[M+H-H2O]+ 217.03232 141.8
[M+HCOO]- 279.03326 166.0
[M+CH3COO]- 293.04891 183.3
[M+Na-2H]- 255.00973 153.8
[M]+ 234.03451 149.6
[M]- 234.03561 149.6
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