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

22
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 134.3
[M+Na]+ 198.03480 143.5
[M-H]- 174.03830 141.5
[M+NH4]+ 193.07940 156.6
[M+K]+ 214.00874 139.5
[M+H-H2O]+ 158.04284 128.5
[M+HCOO]- 220.04378 156.2
[M+CH3COO]- 234.05943 148.7
[M+Na-2H]- 196.02025 137.6
[M]+ 175.04503 134.0
[M]- 175.04613 134.0
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