CID 65667955

(7-chlorobenzofuran-3-yl)methanamine

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1=CC2=C(C(=C1)Cl)OC=C2CN
InChI
InChI=1S/C9H8ClNO/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5H,4,11H2
InChIKey
WIYRCULWKXTYAQ-UHFFFAOYSA-N
Compound name
(7-chloro-1-benzofuran-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 132.3
[M+Na]+ 204.01865 147.1
[M+NH4]+ 199.06325 142.5
[M+K]+ 219.99259 141.5
[M-H]- 180.02215 137.1
[M+Na-2H]- 202.00410 139.5
[M]+ 181.02888 136.2
[M]- 181.02998 136.2
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.