CID 18925395

1354455-70-1

Structural Information

Molecular Formula
C10H9NS
SMILES
C1=CC=C(C=C1)C2=C(C=CS2)N
InChI
InChI=1S/C10H9NS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H,11H2
InChIKey
CRDIHPHMWBEZEO-UHFFFAOYSA-N
Compound name
2-phenylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

175.04558 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.052856 134.3
[M+Na]+ 198.034798 143.5
[M-H]- 174.038304 141.5
[M+NH4]+ 193.079403 156.6
[M+K]+ 214.008738 139.5
[M+H-H2O]+ 158.042840 128.5
[M+HCOO]- 220.043781 156.2
[M+CH3COO]- 234.059431 148.7
[M+Na-2H]- 196.020246 137.6
[M]+ 175.04503142 134.0
[M]- 175.04612858 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