CID 4962305

(9-chloro-3,4-dihydro-2h-1,5-benzodioxepin-7-yl)methanol

Structural Information

Molecular Formula
C10H11ClO3
SMILES
C1COC2=C(C(=CC(=C2)CO)Cl)OC1
InChI
InChI=1S/C10H11ClO3/c11-8-4-7(6-12)5-9-10(8)14-3-1-2-13-9/h4-5,12H,1-3,6H2
InChIKey
LMOWJYPRQLIBBN-UHFFFAOYSA-N
Compound name
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03967 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.3
[M+Na]+ 237.02889 154.2
[M+NH4]+ 232.07349 150.5
[M+K]+ 253.00283 149.7
[M-H]- 213.03239 146.5
[M+Na-2H]- 235.01434 147.0
[M]+ 214.03912 145.6
[M]- 214.04022 145.6
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.