CID 23432345

Schembl6663634

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

6
Patents

201.02484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03212 138.5
[M+Na]+ 224.01406 151.2
[M+NH4]+ 219.05866 144.7
[M+K]+ 239.98800 141.3
[M-H]- 200.01756 135.1
[M+Na-2H]- 221.99951 143.9
[M]+ 201.02429 139.0
[M]- 201.02539 139.0
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