CID 23432345

Refchem:530406

Structural Information

Molecular Formula
C11H7NOS
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C#N)O
InChI
InChI=1S/C11H7NOS/c12-7-10-5-6-11(14-10)8-1-3-9(13)4-2-8/h1-6,13H
InChIKey
CUNUBXOVDZSLJS-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)thiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.02484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.032116 149.9
[M+Na]+ 224.014058 162.4
[M-H]- 200.017564 155.8
[M+NH4]+ 219.058663 169.1
[M+K]+ 239.987998 156.7
[M+H-H2O]+ 184.022100 137.9
[M+HCOO]- 246.023041 166.3
[M+CH3COO]- 260.038691 162.2
[M+Na-2H]- 221.999506 151.5
[M]+ 201.02429142 146.4
[M]- 201.02538858 146.4
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

patents stripe