CID 2846914

77387-64-5

Structural Information

Molecular Formula
C22H28O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C(C)(C)C)O
InChI
InChI=1S/C22H28O2/c1-21(2,3)17-11-7-15(8-12-17)19(23)20(24)16-9-13-18(14-10-16)22(4,5)6/h7-14,19,23H,1-6H3
InChIKey
RPEDYDVPZFYPOZ-UHFFFAOYSA-N
Compound name
1,2-bis(4-tert-butylphenyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

324.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21620 178.9
[M+Na]+ 347.19814 184.2
[M-H]- 323.20164 184.2
[M+NH4]+ 342.24274 192.7
[M+K]+ 363.17208 180.5
[M+H-H2O]+ 307.20618 172.3
[M+HCOO]- 369.20712 194.7
[M+CH3COO]- 383.22277 210.2
[M+Na-2H]- 345.18359 180.5
[M]+ 324.20837 179.7
[M]- 324.20947 179.7
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

patents stripe