CID 711206

350989-70-7

Structural Information

Molecular Formula
C14H14FNO2S
SMILES
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)N
InChI
InChI=1S/C14H14FNO2S/c1-3-18-14(17)12-11(8(2)19-13(12)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3
InChIKey
JKQGEOJZNXXFDI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

279.07294 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08022 161.2
[M+Na]+ 302.06216 170.7
[M-H]- 278.06566 167.3
[M+NH4]+ 297.10676 179.7
[M+K]+ 318.03610 166.3
[M+H-H2O]+ 262.07020 154.0
[M+HCOO]- 324.07114 180.1
[M+CH3COO]- 338.08679 200.6
[M+Na-2H]- 300.04761 158.9
[M]+ 279.07239 163.8
[M]- 279.07349 163.8
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