CID 375590

Nsc655412

Structural Information

Molecular Formula
C19H21ClO5
SMILES
COC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3O2)OC)OC)CCl)OC
InChI
InChI=1S/C19H21ClO5/c1-21-14-6-5-11(7-16(14)22-2)19-13(10-20)12-8-17(23-3)18(24-4)9-15(12)25-19/h5-9,13,19H,10H2,1-4H3
InChIKey
GGIVBKRXKGZZFT-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10776 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11504 183.6
[M+Na]+ 387.09698 194.1
[M-H]- 363.10048 192.7
[M+NH4]+ 382.14158 199.5
[M+K]+ 403.07092 191.3
[M+H-H2O]+ 347.10502 177.3
[M+HCOO]- 409.10596 200.8
[M+CH3COO]- 423.12161 215.9
[M+Na-2H]- 385.08243 184.8
[M]+ 364.10721 194.9
[M]- 364.10831 194.9
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.