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 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.