CID 82759542

(2-chloro-1-benzofuran-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1=CC=C2C(=C1)C(=C(O2)Cl)CN
InChI
InChI=1S/C9H8ClNO/c10-9-7(5-11)6-3-1-2-4-8(6)12-9/h1-4H,5,11H2
InChIKey
CKJWWOSAKXXQQW-UHFFFAOYSA-N
Compound name
(2-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 134.3
[M+Na]+ 204.018648 146.1
[M-H]- 180.022154 139.9
[M+NH4]+ 199.063253 156.8
[M+K]+ 219.992588 142.3
[M+H-H2O]+ 164.026690 130.0
[M+HCOO]- 226.027631 156.0
[M+CH3COO]- 240.043281 149.6
[M+Na-2H]- 202.004096 142.3
[M]+ 181.02888142 138.3
[M]- 181.02997858 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.