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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.