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

18
Patents

195.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 139.8
[M+Na]+ 218.03431 150.8
[M-H]- 194.03781 145.4
[M+NH4]+ 213.07891 161.7
[M+K]+ 234.00825 147.3
[M+H-H2O]+ 178.04235 135.4
[M+HCOO]- 240.04329 160.2
[M+CH3COO]- 254.05894 154.5
[M+Na-2H]- 216.01976 146.0
[M]+ 195.04454 143.6
[M]- 195.04564 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