CID 14244857

2-[(2-chlorophenyl)sulfanyl]ethan-1-amine

Structural Information

Molecular Formula
C8H10ClNS
SMILES
C1=CC=C(C(=C1)SCCN)Cl
InChI
InChI=1S/C8H10ClNS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2
InChIKey
LVNUIAXDEGLQCX-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

187.02225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02953 135.4
[M+Na]+ 210.01147 144.2
[M-H]- 186.01497 138.9
[M+NH4]+ 205.05607 156.3
[M+K]+ 225.98541 139.2
[M+H-H2O]+ 170.01951 130.8
[M+HCOO]- 232.02045 150.7
[M+CH3COO]- 246.03610 181.3
[M+Na-2H]- 207.99692 138.9
[M]+ 187.02170 137.5
[M]- 187.02280 137.5
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.