CID 56604483

1349716-40-0

Structural Information

Molecular Formula
C13H12O2S
SMILES
CC(=O)C1=CC=C(S1)C2=CC=CC(=C2)CO
InChI
InChI=1S/C13H12O2S/c1-9(15)12-5-6-13(16-12)11-4-2-3-10(7-11)8-14/h2-7,14H,8H2,1H3
InChIKey
GGBHMVVIFXYYAY-UHFFFAOYSA-N
Compound name
1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0558 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06308 151.2
[M+Na]+ 255.04502 163.7
[M+NH4]+ 250.08962 160.1
[M+K]+ 271.01896 156.8
[M-H]- 231.04852 154.7
[M+Na-2H]- 253.03047 158.0
[M]+ 232.05525 154.4
[M]- 232.05635 154.4
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.