CID 2735894

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

Structural Information

Molecular Formula
C11H7FN2S
SMILES
C1=CC(=CC=C1C2=CC(=C(S2)C#N)N)F
InChI
InChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-5-9(14)11(6-13)15-10/h1-5H,14H2
InChIKey
TYZQYMLLLAZYPN-UHFFFAOYSA-N
Compound name
3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

218.0314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03868 151.1
[M+Na]+ 241.02062 163.7
[M-H]- 217.02412 156.5
[M+NH4]+ 236.06522 169.9
[M+K]+ 256.99456 157.9
[M+H-H2O]+ 201.02866 137.8
[M+HCOO]- 263.02960 167.8
[M+CH3COO]- 277.04525 163.1
[M+Na-2H]- 239.00607 151.5
[M]+ 218.03085 145.7
[M]- 218.03195 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe