CID 16563

2164-37-6

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
C1C(OC2=CC(=C(C=C2O1)Cl)Cl)CO
InChI
InChI=1S/C9H8Cl2O3/c10-6-1-8-9(2-7(6)11)14-5(3-12)4-13-8/h1-2,5,12H,3-4H2
InChIKey
YSKZPQPJOWLVSP-UHFFFAOYSA-N
Compound name
(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

233.98505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 143.3
[M+Na]+ 256.974268 153.6
[M-H]- 232.977774 147.5
[M+NH4]+ 252.018873 160.8
[M+K]+ 272.948208 151.0
[M+H-H2O]+ 216.982310 139.7
[M+HCOO]- 278.983251 152.5
[M+CH3COO]- 292.998901 185.2
[M+Na-2H]- 254.959716 150.7
[M]+ 233.98450142 147.3
[M]- 233.98559858 147.3
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