CID 74497

1774-34-1

Structural Information

Molecular Formula
C12H10O3S
SMILES
C1=CC(=CC=C1O)S(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O3S/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey
RQCACQIALULDSK-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)sulfinylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22204
Patents

234.03506 Da
Monoisotopic Mass

2.0
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