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

2
Patents

186.00838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 132.4
[M+Na]+ 208.997598 142.0
[M-H]- 185.001104 137.2
[M+NH4]+ 204.042203 151.1
[M+K]+ 224.971538 140.8
[M+H-H2O]+ 169.005640 128.1
[M+HCOO]- 231.006581 147.1
[M+CH3COO]- 245.022231 146.4
[M+Na-2H]- 206.983046 141.9
[M]+ 186.00783142 134.5
[M]- 186.00892858 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

patents stripe