CID 23432345

5-(4-hydroxyphenyl)thiophene-2-carbonitrile

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 149.9
[M+Na]+ 224.01406 162.4
[M-H]- 200.01756 155.8
[M+NH4]+ 219.05866 169.1
[M+K]+ 239.98800 156.7
[M+H-H2O]+ 184.02210 137.9
[M+HCOO]- 246.02304 166.3
[M+CH3COO]- 260.03869 162.2
[M+Na-2H]- 221.99951 151.5
[M]+ 201.02429 146.4
[M]- 201.02539 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