CID 760871

Methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C12H10ClNO2S
SMILES
COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C12H10ClNO2S/c1-16-12(15)10-9(6-17-11(10)14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKey
MMDGBRSRVRPRMY-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.0121 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01938 157.3
[M+Na]+ 290.00132 170.1
[M+NH4]+ 285.04592 166.3
[M+K]+ 305.97526 163.1
[M-H]- 266.00482 161.4
[M+Na-2H]- 287.98677 164.0
[M]+ 267.01155 161.0
[M]- 267.01265 161.0
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