CID 613091

Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C13H12FNO2S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)N
InChI
InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKey
CJMZLCRLBNZJQR-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6514
Patents

265.05728 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06456 157.0
[M+Na]+ 288.04650 166.2
[M-H]- 264.05000 163.0
[M+NH4]+ 283.09110 175.8
[M+K]+ 304.02044 161.9
[M+H-H2O]+ 248.05454 149.7
[M+HCOO]- 310.05548 176.3
[M+CH3COO]- 324.07113 196.4
[M+Na-2H]- 286.03195 155.9
[M]+ 265.05673 158.9
[M]- 265.05783 158.9
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

patents stripe