CID 22047891

179018-41-8

Structural Information

Molecular Formula
C11H10OS
SMILES
C1=CC(=CC=C1CC2=CSC=C2)O
InChI
InChI=1S/C11H10OS/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-6,8,12H,7H2
InChIKey
DWCZOGPLPLLMKY-UHFFFAOYSA-N
Compound name
4-(thiophen-3-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

190.04524 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05252 138.8
[M+Na]+ 213.03446 147.9
[M-H]- 189.03796 145.0
[M+NH4]+ 208.07906 160.3
[M+K]+ 229.00840 143.8
[M+H-H2O]+ 173.04250 133.3
[M+HCOO]- 235.04344 158.8
[M+CH3COO]- 249.05909 152.8
[M+Na-2H]- 211.01991 141.6
[M]+ 190.04469 140.1
[M]- 190.04579 140.1
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

patents stripe