CID 9543498

Biphenyl-2-sulfinic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₂S

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2S(=O)O

InChI

InChI=1S/C12H10O2S/c13-15(14)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,13,14)

InChIKey

LZCLZDCSBDVAOV-UHFFFAOYSA-N

Compound name

2-phenylbenzenesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 218.04015 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.047426	144.0
[M+Na]+	241.029368	152.2
[M-H]-	217.032874	149.9
[M+NH4]+	236.073973	162.1
[M+K]+	257.003308	147.9
[M+H-H2O]+	201.037410	137.6
[M+HCOO]-	263.038351	162.1
[M+CH3COO]-	277.054001	182.5
[M+Na-2H]-	239.014816	147.8
[M]+	218.03960142	144.7
[M]-	218.04069858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe