CID 364126

Nsc629795

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
CC1=CC2=C(C3=C(C2=O)C(=CC=C3)Cl)C(=C1C)C(=O)N
InChI
InChI=1S/C16H12ClNO2/c1-7-6-10-13(12(8(7)2)16(18)20)9-4-3-5-11(17)14(9)15(10)19/h3-6H,1-2H3,(H2,18,20)
InChIKey
JOUFGOJEGNEWMN-UHFFFAOYSA-N
Compound name
8-chloro-2,3-dimethyl-9-oxofluorene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.05566 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 163.6
[M+Na]+ 308.04488 176.2
[M-H]- 284.04838 170.0
[M+NH4]+ 303.08948 184.7
[M+K]+ 324.01882 169.7
[M+H-H2O]+ 268.05292 159.1
[M+HCOO]- 330.05386 181.7
[M+CH3COO]- 344.06951 205.9
[M+Na-2H]- 306.03033 165.2
[M]+ 285.05511 168.0
[M]- 285.05621 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.