CID 441161

2'-hydroxybiphenyl-2-sulfinic acid

Structural Information

Molecular Formula
C12H10O3S
SMILES
C1=CC=C(C(=C1)C2=CC=CC=C2S(=O)O)O
InChI
InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)
InChIKey
HPKSNFTYZHYEKV-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)benzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

89
Patents

234.03506 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04234 147.3
[M+Na]+ 257.02428 155.7
[M-H]- 233.02778 152.1
[M+NH4]+ 252.06888 164.2
[M+K]+ 272.99822 151.1
[M+H-H2O]+ 217.03232 141.1
[M+HCOO]- 279.03326 164.0
[M+CH3COO]- 293.04891 183.3
[M+Na-2H]- 255.00973 150.1
[M]+ 234.03451 148.0
[M]- 234.03561 148.0
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