CID 12578807

7-chloro-2,3-dihydro-1,4-benzodioxin-5-ol

Structural Information

Molecular Formula
C8H7ClO3
SMILES
C1COC2=C(C=C(C=C2O1)Cl)O
InChI
InChI=1S/C8H7ClO3/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4,10H,1-2H2
InChIKey
PAFVOQQFUJMVTI-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1,4-benzodioxin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 132.4
[M+Na]+ 208.99760 142.0
[M-H]- 185.00110 137.2
[M+NH4]+ 204.04220 151.1
[M+K]+ 224.97154 140.8
[M+H-H2O]+ 169.00564 128.1
[M+HCOO]- 231.00658 147.1
[M+CH3COO]- 245.02223 146.4
[M+Na-2H]- 206.98305 141.9
[M]+ 186.00783 134.5
[M]- 186.00893 134.5
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

No patent data available for this compound.