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

20
Patents

233.98505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99233 143.3
[M+Na]+ 256.97427 153.6
[M-H]- 232.97777 147.5
[M+NH4]+ 252.01887 160.8
[M+K]+ 272.94821 151.0
[M+H-H2O]+ 216.98231 139.7
[M+HCOO]- 278.98325 152.5
[M+CH3COO]- 292.99890 185.2
[M+Na-2H]- 254.95972 150.7
[M]+ 233.98450 147.3
[M]- 233.98560 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