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]+ 171.020736 130.3
[M+Na]+ 193.002678 140.8
[M-H]- 169.006184 134.7
[M+NH4]+ 188.047283 153.0
[M+K]+ 208.976618 137.8
[M+H-H2O]+ 153.010720 126.8
[M+HCOO]- 215.011661 147.8
[M+CH3COO]- 229.027311 145.1
[M+Na-2H]- 190.988126 137.4
[M]+ 170.01291142 132.4
[M]- 170.01400858 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