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]+ 219.038676 151.1
[M+Na]+ 241.020618 163.7
[M-H]- 217.024124 156.5
[M+NH4]+ 236.065223 169.9
[M+K]+ 256.994558 157.9
[M+H-H2O]+ 201.028660 137.8
[M+HCOO]- 263.029601 167.8
[M+CH3COO]- 277.045251 163.1
[M+Na-2H]- 239.006066 151.5
[M]+ 218.03085142 145.7
[M]- 218.03194858 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.