CID 53408403

1384265-38-6

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1C(C2=C(O1)C=C(C=C2)Cl)N
InChI
InChI=1S/C8H8ClNO/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7H,4,10H2
InChIKey
PGCHRYGLCNSOGH-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.02943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 132.3
[M+Na]+ 192.01865 142.5
[M-H]- 168.02215 137.4
[M+NH4]+ 187.06325 155.1
[M+K]+ 207.99259 139.3
[M+H-H2O]+ 152.02669 128.2
[M+HCOO]- 214.02763 151.5
[M+CH3COO]- 228.04328 147.0
[M+Na-2H]- 190.00410 139.0
[M]+ 169.02888 133.1
[M]- 169.02998 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