CID 18925404

1318073-64-1

Structural Information

Molecular Formula
C10H8ClNS
SMILES
C1=CC(=CC=C1C2=C(C=CS2)N)Cl
InChI
InChI=1S/C10H8ClNS/c11-8-3-1-7(2-4-8)10-9(12)5-6-13-10/h1-6H,12H2
InChIKey
DDQLTKJLVLVCEE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)thiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

209.00659 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01387 142.0
[M+Na]+ 231.99581 152.7
[M-H]- 207.99931 149.3
[M+NH4]+ 227.04041 164.0
[M+K]+ 247.96975 146.8
[M+H-H2O]+ 192.00385 137.1
[M+HCOO]- 254.00479 159.2
[M+CH3COO]- 268.02044 156.2
[M+Na-2H]- 229.98126 143.9
[M]+ 209.00604 144.0
[M]- 209.00714 144.0
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

No patent data available for this compound.