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 137.7
[M+Na]+ 237.02889 145.3
[M-H]- 213.03239 143.1
[M+NH4]+ 232.07349 154.3
[M+K]+ 253.00283 148.0
[M+H-H2O]+ 197.03693 133.7
[M+HCOO]- 259.03787 151.6
[M+CH3COO]- 273.05352 150.5
[M+Na-2H]- 235.01434 145.9
[M]+ 214.03912 137.2
[M]- 214.04022 137.2
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.