CID 71579377

Gramniphenol f

Structural Information

Molecular Formula
C19H16O3
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C19H16O3/c1-19(2)8-7-13-9-14-10-16(12-3-5-15(20)6-4-12)21-17(14)11-18(13)22-19/h3-11,20H,1-2H3
InChIKey
GQRJEBZESAXFAK-UHFFFAOYSA-N
Compound name
4-(7,7-dimethylfuro[3,2-g]chromen-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

292.10995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 165.9
[M+Na]+ 315.09917 177.7
[M-H]- 291.10267 176.0
[M+NH4]+ 310.14377 184.5
[M+K]+ 331.07311 174.6
[M+H-H2O]+ 275.10721 159.3
[M+HCOO]- 337.10815 186.1
[M+CH3COO]- 351.12380 179.5
[M+Na-2H]- 313.08462 173.4
[M]+ 292.10940 170.7
[M]- 292.11050 170.7
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