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

11
Patents

186.00838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 133.6
[M+Na]+ 208.997598 144.1
[M-H]- 185.001104 138.6
[M+NH4]+ 204.042203 154.3
[M+K]+ 224.971538 142.6
[M+H-H2O]+ 169.005640 130.1
[M+HCOO]- 231.006581 150.4
[M+CH3COO]- 245.022231 175.8
[M+Na-2H]- 206.983046 141.5
[M]+ 186.00783142 137.8
[M]- 186.00892858 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

patents stripe