CID 15696

Nsc 74990

Structural Information

Molecular Formula
C15H9Cl2NO2
SMILES
CC(=O)NC1=C2C3=C(C=C(C=C3)Cl)C(=O)C2=C(C=C1)Cl
InChI
InChI=1S/C15H9Cl2NO2/c1-7(19)18-12-5-4-11(17)14-13(12)9-3-2-8(16)6-10(9)15(14)20/h2-6H,1H3,(H,18,19)
InChIKey
NDOMMWTWQAWUQG-UHFFFAOYSA-N
Compound name
N-(1,7-dichloro-9-oxofluoren-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.00104 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00832 166.0
[M+Na]+ 327.99026 178.6
[M-H]- 303.99376 171.8
[M+NH4]+ 323.03486 186.7
[M+K]+ 343.96420 171.4
[M+H-H2O]+ 287.99830 162.0
[M+HCOO]- 349.99924 180.0
[M+CH3COO]- 364.01489 178.9
[M+Na-2H]- 325.97571 169.0
[M]+ 305.00049 171.8
[M]- 305.00159 171.8
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.