CID 246628

2-methyl-6-(1-naphthoyl)benzoic acid

Structural Information

Molecular Formula
C19H14O3
SMILES
CC1=C(C(=CC=C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C19H14O3/c1-12-6-4-11-16(17(12)19(21)22)18(20)15-10-5-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H,21,22)
InChIKey
BXZKSJZKQCAGIB-UHFFFAOYSA-N
Compound name
2-methyl-6-(naphthalene-1-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10158 165.3
[M+Na]+ 313.08352 173.1
[M-H]- 289.08702 171.9
[M+NH4]+ 308.12812 180.8
[M+K]+ 329.05746 168.4
[M+H-H2O]+ 273.09156 157.6
[M+HCOO]- 335.09250 185.2
[M+CH3COO]- 349.10815 202.1
[M+Na-2H]- 311.06897 168.9
[M]+ 290.09375 165.8
[M]- 290.09485 165.8
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.