CID 495318

Nsc649979

Structural Information

Molecular Formula
C16H15ClO3
SMILES
CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H15ClO3/c1-9-12-7-13(18)15(19-2)8-14(12)20-16(9)10-3-5-11(17)6-4-10/h3-9,16,18H,1-2H3
InChIKey
ZPISPGQVKRSJNK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07098 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07826 164.4
[M+Na]+ 313.06020 175.4
[M-H]- 289.06370 172.3
[M+NH4]+ 308.10480 182.6
[M+K]+ 329.03414 170.9
[M+H-H2O]+ 273.06824 159.1
[M+HCOO]- 335.06918 180.8
[M+CH3COO]- 349.08483 177.6
[M+Na-2H]- 311.04565 167.2
[M]+ 290.07043 169.7
[M]- 290.07153 169.7
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.