CID 2733750

2,4-dihydroxy-5-tert-butylbenzophenone

Structural Information

Molecular Formula
C17H18O3
SMILES
CC(C)(C)C1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C17H18O3/c1-17(2,3)13-9-12(14(18)10-15(13)19)16(20)11-7-5-4-6-8-11/h4-10,18-19H,1-3H3
InChIKey
HSYUVRRTSSSDJI-UHFFFAOYSA-N
Compound name
(5-tert-butyl-2,4-dihydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

270.12558 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 161.9
[M+Na]+ 293.114798 169.4
[M-H]- 269.118304 166.6
[M+NH4]+ 288.159403 177.2
[M+K]+ 309.088738 165.5
[M+H-H2O]+ 253.122840 155.6
[M+HCOO]- 315.123781 180.5
[M+CH3COO]- 329.139431 195.4
[M+Na-2H]- 291.100246 165.0
[M]+ 270.12503142 162.0
[M]- 270.12612858 162.0
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