CID 11096783

134612-39-8

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)12-7-8-13(16)14(9-12)18-2/h3-9,16H,1-2H3
InChIKey
QRHQYMIZAGQGDF-UHFFFAOYSA-N
Compound name
(4-hydroxy-3-methoxyphenyl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

242.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 152.5
[M+Na]+ 265.08352 160.9
[M-H]- 241.08702 158.6
[M+NH4]+ 260.12812 169.5
[M+K]+ 281.05746 157.7
[M+H-H2O]+ 225.09156 145.6
[M+HCOO]- 287.09250 174.9
[M+CH3COO]- 301.10815 192.1
[M+Na-2H]- 263.06897 156.3
[M]+ 242.09375 154.3
[M]- 242.09485 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe