CID 17842438

151619-12-4

Structural Information

Molecular Formula
C8H5ClO
SMILES
C1=CC(=CC2=C1C=CO2)Cl
InChI
InChI=1S/C8H5ClO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
InChIKey
BKBDOWJPNZYBSO-UHFFFAOYSA-N
Compound name
6-chloro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

152.0029 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01018 124.1
[M+Na]+ 174.99212 136.3
[M-H]- 150.99562 130.1
[M+NH4]+ 170.03672 148.1
[M+K]+ 190.96606 133.4
[M+H-H2O]+ 135.00016 120.2
[M+HCOO]- 197.00110 145.8
[M+CH3COO]- 211.01675 140.4
[M+Na-2H]- 172.97757 134.2
[M]+ 152.00235 129.1
[M]- 152.00345 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe