CID 12950678

4-phenylthiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C10H9NS
SMILES
C1=CC=C(C=C1)C2=CSC=C2N
InChI
InChI=1S/C10H9NS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7H,11H2
InChIKey
YYXRJTDWTKFYSB-UHFFFAOYSA-N
Compound name
4-phenylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

175.04558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 134.9
[M+Na]+ 198.03480 147.9
[M+NH4]+ 193.07940 145.6
[M+K]+ 214.00874 140.2
[M-H]- 174.03830 140.5
[M+Na-2H]- 196.02025 143.9
[M]+ 175.04503 138.9
[M]- 175.04613 138.9
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