CID 438223

Nsc625962

Structural Information

Molecular Formula
C16H12ClNO3
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)NC3=C(C2=O)C=CC(=C3)Cl
InChI
InChI=1S/C16H12ClNO3/c1-7-5-11-14(13(8(7)2)16(20)21)18-12-6-9(17)3-4-10(12)15(11)19/h3-6H,1-2H3,(H,18,19)(H,20,21)
InChIKey
NGCZBQCMFLUJDJ-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05057 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05785 162.8
[M+Na]+ 324.03979 176.3
[M-H]- 300.04329 165.9
[M+NH4]+ 319.08439 179.3
[M+K]+ 340.01373 169.2
[M+H-H2O]+ 284.04783 157.0
[M+HCOO]- 346.04877 177.0
[M+CH3COO]- 360.06442 175.3
[M+Na-2H]- 322.02524 168.0
[M]+ 301.05002 168.0
[M]- 301.05112 168.0
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.