CID 71578156

Gramniphenol d

Structural Information

Molecular Formula
C19H18O6
SMILES
CC(=C)[C@@H](COC1=CC2=C(C(=C1)OC)C3=C(C=CC(=C3C2=O)O)O)O
InChI
InChI=1S/C19H18O6/c1-9(2)14(22)8-25-10-6-11-16(15(7-10)24-3)17-12(20)4-5-13(21)18(17)19(11)23/h4-7,14,20-22H,1,8H2,2-3H3/t14-/m1/s1
InChIKey
DEGBJQLDDFJQRR-CQSZACIVSA-N
Compound name
1,4-dihydroxy-7-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-5-methoxyfluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

342.11035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 176.9
[M+Na]+ 365.09957 185.5
[M-H]- 341.10307 179.3
[M+NH4]+ 360.14417 192.6
[M+K]+ 381.07351 181.6
[M+H-H2O]+ 325.10761 171.7
[M+HCOO]- 387.10855 193.0
[M+CH3COO]- 401.12420 209.7
[M+Na-2H]- 363.08502 176.3
[M]+ 342.10980 181.5
[M]- 342.11090 181.5
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.