CID 369146

Nsc640732

Structural Information

Molecular Formula
C19H13ClO3
SMILES
CC1=C(C=CC(=C1)Cl)C(=O)C2=C(C3=CC=CC=C3C=C2)C(=O)O
InChI
InChI=1S/C19H13ClO3/c1-11-10-13(20)7-9-14(11)18(21)16-8-6-12-4-2-3-5-15(12)17(16)19(22)23/h2-10H,1H3,(H,22,23)
InChIKey
QDRKMWOENMBRNY-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylbenzoyl)naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.05533 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06261 170.8
[M+Na]+ 347.04455 180.4
[M-H]- 323.04805 177.6
[M+NH4]+ 342.08915 186.2
[M+K]+ 363.01849 174.1
[M+H-H2O]+ 307.05259 164.1
[M+HCOO]- 369.05353 186.2
[M+CH3COO]- 383.06918 207.0
[M+Na-2H]- 345.03000 173.4
[M]+ 324.05478 174.2
[M]- 324.05588 174.2
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.