CID 3064368

102071-77-2

Structural Information

Molecular Formula
C11H12Cl2O3
SMILES
C1C(OC2=CC(=C(C=C2O1)Cl)Cl)CCCO
InChI
InChI=1S/C11H12Cl2O3/c12-8-4-10-11(5-9(8)13)16-7(6-15-10)2-1-3-14/h4-5,7,14H,1-3,6H2
InChIKey
DNLXEIUNDQKPHB-UHFFFAOYSA-N
Compound name
3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.01636 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.023636 152.9
[M+Na]+ 285.005578 162.3
[M-H]- 261.009084 156.7
[M+NH4]+ 280.050183 169.3
[M+K]+ 300.979518 159.2
[M+H-H2O]+ 245.013620 148.9
[M+HCOO]- 307.014561 161.4
[M+CH3COO]- 321.030211 191.1
[M+Na-2H]- 282.991026 159.2
[M]+ 262.01581142 157.5
[M]- 262.01690858 157.5
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

No patent data available for this compound.