CID 97435

33533-90-3

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H14O4/c1-20-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKey
DPXWHZUTDZONDB-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-2-oxoethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

270.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.5
[M+Na]+ 293.07842 166.3
[M-H]- 269.08192 165.0
[M+NH4]+ 288.12302 174.7
[M+K]+ 309.05236 163.4
[M+H-H2O]+ 253.08646 152.0
[M+HCOO]- 315.08740 180.9
[M+CH3COO]- 329.10305 196.1
[M+Na-2H]- 291.06387 162.3
[M]+ 270.08865 161.3
[M]- 270.08975 161.3
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