CID 4276977

2,6-bis(3-methylphenyl)benzoic acid

Structural Information

Molecular Formula
C21H18O2
SMILES
CC1=CC(=CC=C1)C2=C(C(=CC=C2)C3=CC=CC(=C3)C)C(=O)O
InChI
InChI=1S/C21H18O2/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21(22)23)17-9-4-7-15(2)13-17/h3-13H,1-2H3,(H,22,23)
InChIKey
CXRBTVICLMOOCO-UHFFFAOYSA-N
Compound name
2,6-bis(3-methylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.13068 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13796 172.7
[M+Na]+ 325.11990 190.0
[M+NH4]+ 320.16450 181.6
[M+K]+ 341.09384 180.9
[M-H]- 301.12340 179.9
[M+Na-2H]- 323.10535 184.0
[M]+ 302.13013 177.5
[M]- 302.13123 177.5
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

No patent data available for this compound.