CID 56632

2-hydroxy-4-isopropoxybenzophenone

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

CC(C)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H16O3/c1-11(2)19-13-8-9-14(15(17)10-13)16(18)12-6-4-3-5-7-12/h3-11,17H,1-2H3

InChIKey

PGQWQEONRYBXKQ-UHFFFAOYSA-N

Compound name

(2-hydroxy-4-propan-2-yloxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 256.10995 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.117226	157.7
[M+Na]+	279.099168	164.4
[M-H]-	255.102674	163.2
[M+NH4]+	274.143773	173.7
[M+K]+	295.073108	161.4
[M+H-H2O]+	239.107210	150.4
[M+HCOO]-	301.108151	178.7
[M+CH3COO]-	315.123801	194.8
[M+Na-2H]-	277.084616	160.4
[M]+	256.10940142	158.7
[M]-	256.11049858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe