CID 3062046

80161-85-9

Structural Information

Molecular Formula
C14H16ClNS
SMILES
CCNC(CC1=CC=C(C=C1)Cl)C2=CC=CS2
InChI
InChI=1S/C14H16ClNS/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h3-9,13,16H,2,10H2,1H3
InChIKey
ZGLNLUPMCUEWDO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.06918 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07646 160.2
[M+Na]+ 288.05840 167.9
[M-H]- 264.06190 167.1
[M+NH4]+ 283.10300 179.8
[M+K]+ 304.03234 162.0
[M+H-H2O]+ 248.06644 154.2
[M+HCOO]- 310.06738 175.7
[M+CH3COO]- 324.08303 196.2
[M+Na-2H]- 286.04385 160.7
[M]+ 265.06863 163.6
[M]- 265.06973 163.6
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.