CID 3062008

80154-74-1

Structural Information

Molecular Formula
C12H11Cl2NS
SMILES
C1=CC(=C(C(=C1)Cl)CC(C2=CC=CS2)N)Cl
InChI
InChI=1S/C12H11Cl2NS/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6,11H,7,15H2
InChIKey
KAJWVMIFELLKCK-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.99893 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.00621 158.2
[M+Na]+ 293.98815 167.9
[M-H]- 269.99165 164.6
[M+NH4]+ 289.03275 178.0
[M+K]+ 309.96209 160.8
[M+H-H2O]+ 253.99619 153.6
[M+HCOO]- 315.99713 168.6
[M+CH3COO]- 330.01278 170.5
[M+Na-2H]- 291.97360 157.3
[M]+ 270.99838 161.4
[M]- 270.99948 161.4
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.