CID 21795539

(4-chloro-1,3-dioxaindan-5-yl)methanol

Structural Information

Molecular Formula
C8H7ClO3
SMILES
C1OC2=C(O1)C(=C(C=C2)CO)Cl
InChI
InChI=1S/C8H7ClO3/c9-7-5(3-10)1-2-6-8(7)12-4-11-6/h1-2,10H,3-4H2
InChIKey
PDVZKTRCSSNEJP-UHFFFAOYSA-N
Compound name
(4-chloro-1,3-benzodioxol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.00838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 133.6
[M+Na]+ 208.99760 144.1
[M-H]- 185.00110 138.6
[M+NH4]+ 204.04220 154.3
[M+K]+ 224.97154 142.6
[M+H-H2O]+ 169.00564 130.1
[M+HCOO]- 231.00658 150.4
[M+CH3COO]- 245.02223 175.8
[M+Na-2H]- 206.98305 141.5
[M]+ 186.00783 137.8
[M]- 186.00893 137.8
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.