CID 65436191

5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile

Structural Information

Molecular Formula
C11H7FN2S
SMILES
C1=CC(=C(C=C1N)F)C2=CC=C(S2)C#N
InChI
InChI=1S/C11H7FN2S/c12-10-5-7(14)1-3-9(10)11-4-2-8(6-13)15-11/h1-5H,14H2
InChIKey
UUPKWEUGOOZRBZ-UHFFFAOYSA-N
Compound name
5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03868 143.2
[M+Na]+ 241.02062 155.0
[M+NH4]+ 236.06522 148.7
[M+K]+ 256.99456 144.8
[M-H]- 217.02412 139.1
[M+Na-2H]- 239.00607 147.8
[M]+ 218.03085 143.3
[M]- 218.03195 143.3
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.