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

14
Patents

270.12558 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 161.9
[M+Na]+ 293.11480 169.4
[M-H]- 269.11830 166.6
[M+NH4]+ 288.15940 177.2
[M+K]+ 309.08874 165.5
[M+H-H2O]+ 253.12284 155.6
[M+HCOO]- 315.12378 180.5
[M+CH3COO]- 329.13943 195.4
[M+Na-2H]- 291.10025 165.0
[M]+ 270.12503 162.0
[M]- 270.12613 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