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]+ 210.013866 142.0
[M+Na]+ 231.995808 152.7
[M-H]- 207.999314 149.3
[M+NH4]+ 227.040413 164.0
[M+K]+ 247.969748 146.8
[M+H-H2O]+ 192.003850 137.1
[M+HCOO]- 254.004791 159.2
[M+CH3COO]- 268.020441 156.2
[M+Na-2H]- 229.981256 143.9
[M]+ 209.00604142 144.0
[M]- 209.00713858 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

literature stripe

Patent stripe

patents stripe