CID 60145886

5-(4-fluorophenyl)-3-methyl-2-thiophenecarbonitrile

Structural Information

Molecular Formula
C12H8FNS
SMILES
CC1=C(SC(=C1)C2=CC=C(C=C2)F)C#N
InChI
InChI=1S/C12H8FNS/c1-8-6-11(15-12(8)7-14)9-2-4-10(13)5-3-9/h2-6H,1H3
InChIKey
GXJKZRGHLPXSST-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3-methylthiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.03615 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04343 149.7
[M+Na]+ 240.02537 163.0
[M-H]- 216.02887 155.7
[M+NH4]+ 235.06997 169.2
[M+K]+ 255.99931 157.1
[M+H-H2O]+ 200.03341 136.7
[M+HCOO]- 262.03435 166.0
[M+CH3COO]- 276.05000 162.3
[M+Na-2H]- 238.01082 150.2
[M]+ 217.03560 146.3
[M]- 217.03670 146.3
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.