CID 9934424

Schembl6555768

Structural Information

Molecular Formula
C28H29F3O3
SMILES
CC1(CCC(C2=CC3=C(C=C(C=C3C=C21)C4=CC=C(C=C4)C(=O)O)C(C(F)(F)F)OC)(C)C)C
InChI
InChI=1S/C28H29F3O3/c1-26(2)10-11-27(3,4)23-15-20-19(14-22(23)26)12-18(13-21(20)24(34-5)28(29,30)31)16-6-8-17(9-7-16)25(32)33/h6-9,12-15,24H,10-11H2,1-5H3,(H,32,33)
InChIKey
GGBXAGJOPKQCJV-UHFFFAOYSA-N
Compound name
4-[5,5,8,8-tetramethyl-4-(2,2,2-trifluoro-1-methoxyethyl)-6,7-dihydroanthracen-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

470.20688 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.21416 215.8
[M+Na]+ 493.19610 223.9
[M-H]- 469.19960 218.6
[M+NH4]+ 488.24070 229.2
[M+K]+ 509.17004 218.0
[M+H-H2O]+ 453.20414 204.5
[M+HCOO]- 515.20508 223.7
[M+CH3COO]- 529.22073 238.4
[M+Na-2H]- 491.18155 214.9
[M]+ 470.20633 213.8
[M]- 470.20743 213.8
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

patents stripe