CID 121210332

7-chloro-1,3-dioxaindan-5-ol

Structural Information

Molecular Formula
C7H5ClO3
SMILES
C1OC2=C(O1)C(=CC(=C2)O)Cl
InChI
InChI=1S/C7H5ClO3/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-2,9H,3H2
InChIKey
UWYVTGMSRFJFKL-UHFFFAOYSA-N
Compound name
7-chloro-1,3-benzodioxol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.99272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.999996 128.7
[M+Na]+ 194.981938 139.6
[M-H]- 170.985444 133.9
[M+NH4]+ 190.026543 149.9
[M+K]+ 210.955878 138.4
[M+H-H2O]+ 154.989980 125.5
[M+HCOO]- 216.990921 145.8
[M+CH3COO]- 231.006571 143.8
[M+Na-2H]- 192.967386 137.2
[M]+ 171.99217142 132.5
[M]- 171.99326858 132.5
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