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

literature stripe

Patent stripe

patents stripe