CID 59606807

6-chloro-2,3-dihydro-1-benzofuran-3-ol

Structural Information

Molecular Formula
C8H7ClO2
SMILES
C1C(C2=C(O1)C=C(C=C2)Cl)O
InChI
InChI=1S/C8H7ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7,10H,4H2
InChIKey
YRIURKJQEFGHJJ-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1-benzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

170.01346 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 130.3
[M+Na]+ 193.00268 140.8
[M-H]- 169.00618 134.7
[M+NH4]+ 188.04728 153.0
[M+K]+ 208.97662 137.8
[M+H-H2O]+ 153.01072 126.8
[M+HCOO]- 215.01166 147.8
[M+CH3COO]- 229.02731 145.1
[M+Na-2H]- 190.98813 137.4
[M]+ 170.01291 132.4
[M]- 170.01401 132.4
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