CID 4130334

3-(3-thienyl)benzonitrile

Structural Information

Molecular Formula
C11H7NS
SMILES
C1=CC(=CC(=C1)C2=CSC=C2)C#N
InChI
InChI=1S/C11H7NS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8H
InChIKey
MKZPBPRNMKZQIT-UHFFFAOYSA-N
Compound name
3-thiophen-3-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.02992 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03720 136.0
[M+Na]+ 208.01914 149.5
[M+NH4]+ 203.06374 143.1
[M+K]+ 223.99308 138.5
[M-H]- 184.02264 133.6
[M+Na-2H]- 206.00459 142.6
[M]+ 185.02937 137.0
[M]- 185.03047 137.0
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