CID 44191188

1173434-87-1

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1COC2=CC(=C(C=C21)N)Cl
InChI
InChI=1S/C8H8ClNO/c9-6-4-8-5(1-2-11-8)3-7(6)10/h3-4H,1-2,10H2
InChIKey
ZITRKKKFQZQRRA-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 132.3
[M+Na]+ 192.018648 142.5
[M-H]- 168.022154 137.4
[M+NH4]+ 187.063253 155.1
[M+K]+ 207.992588 139.3
[M+H-H2O]+ 152.026690 128.2
[M+HCOO]- 214.027631 151.5
[M+CH3COO]- 228.043281 147.0
[M+Na-2H]- 190.004096 139.0
[M]+ 169.02888142 133.1
[M]- 169.02997858 133.1
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