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

34
Patents

218.04015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04743 144.0
[M+Na]+ 241.02937 152.2
[M-H]- 217.03287 149.9
[M+NH4]+ 236.07397 162.1
[M+K]+ 257.00331 147.9
[M+H-H2O]+ 201.03741 137.6
[M+HCOO]- 263.03835 162.1
[M+CH3COO]- 277.05400 182.5
[M+Na-2H]- 239.01482 147.8
[M]+ 218.03960 144.7
[M]- 218.04070 144.7
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.