CID 445920

2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol

Structural Information

Molecular Formula
C14H10O2S
SMILES
C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)O)O
InChI
InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
InChIKey
MDGWZLQPNOETLH-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-1-benzothiophen-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

212
Patents

242.04015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04743 149.6
[M+Na]+ 265.02937 161.1
[M-H]- 241.03287 156.4
[M+NH4]+ 260.07397 169.9
[M+K]+ 281.00331 155.2
[M+H-H2O]+ 225.03741 144.6
[M+HCOO]- 287.03835 168.7
[M+CH3COO]- 301.05400 163.4
[M+Na-2H]- 263.01482 153.6
[M]+ 242.03960 152.9
[M]- 242.04070 152.9
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