CID 3062001

80154-70-7

Structural Information

Molecular Formula
C12H12ClNS
SMILES
C1=CSC(=C1)C(CC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C12H12ClNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7,11H,8,14H2
InChIKey
RYGMJDIKJBKHIU-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0379 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04518 151.5
[M+Na]+ 260.02712 160.1
[M-H]- 236.03062 158.2
[M+NH4]+ 255.07172 172.0
[M+K]+ 276.00106 154.3
[M+H-H2O]+ 220.03516 146.0
[M+HCOO]- 282.03610 167.0
[M+CH3COO]- 296.05175 164.4
[M+Na-2H]- 258.01257 152.0
[M]+ 237.03735 153.3
[M]- 237.03845 153.3
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

No patent data available for this compound.