CID 4203893

1-(5-chloro-1-benzofuran-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10ClNO
SMILES
CC(C1=CC2=C(O1)C=CC(=C2)Cl)N
InChI
InChI=1S/C10H10ClNO/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3
InChIKey
IMSCAUVOIHGEFA-UHFFFAOYSA-N
Compound name
1-(5-chloro-1-benzofuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

195.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.052366 139.8
[M+Na]+ 218.034308 150.8
[M-H]- 194.037814 145.4
[M+NH4]+ 213.078913 161.7
[M+K]+ 234.008248 147.3
[M+H-H2O]+ 178.042350 135.4
[M+HCOO]- 240.043291 160.2
[M+CH3COO]- 254.058941 154.5
[M+Na-2H]- 216.019756 146.0
[M]+ 195.04454142 143.6
[M]- 195.04563858 143.6
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

patents stripe