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 134.3
[M+Na]+ 204.01865 146.1
[M-H]- 180.02215 139.9
[M+NH4]+ 199.06325 156.8
[M+K]+ 219.99259 142.3
[M+H-H2O]+ 164.02669 130.0
[M+HCOO]- 226.02763 156.0
[M+CH3COO]- 240.04328 149.6
[M+Na-2H]- 202.00410 142.3
[M]+ 181.02888 138.3
[M]- 181.02998 138.3
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.