CID 362324

Nsc625960

Structural Information

Molecular Formula
C16H11ClO3
SMILES
CC1=CC2=C(C3=C(C2=O)C(=CC=C3)Cl)C(=C1C)C(=O)O
InChI
InChI=1S/C16H11ClO3/c1-7-6-10-13(12(8(7)2)16(19)20)9-4-3-5-11(17)14(9)15(10)18/h3-6H,1-2H3,(H,19,20)
InChIKey
TZBWRFSJNNECLF-UHFFFAOYSA-N
Compound name
8-chloro-2,3-dimethyl-9-oxofluorene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03967 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04695 161.0
[M+Na]+ 309.02889 174.0
[M-H]- 285.03239 166.7
[M+NH4]+ 304.07349 182.0
[M+K]+ 325.00283 167.6
[M+H-H2O]+ 269.03693 157.0
[M+HCOO]- 331.03787 177.5
[M+CH3COO]- 345.05352 201.2
[M+Na-2H]- 307.01434 163.0
[M]+ 286.03912 166.8
[M]- 286.04022 166.8
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.