CID 15698

Nsc 90691

Structural Information

Molecular Formula
C15H9Br2NO2
SMILES
CC(=O)NC1=C2C3=C(C=C(C=C3)Br)C(=O)C2=C(C=C1)Br
InChI
InChI=1S/C15H9Br2NO2/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
QOPKQYPHSQXCFB-UHFFFAOYSA-N
Compound name
N-(1,7-dibromo-9-oxofluoren-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.9 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.90728 167.7
[M+Na]+ 415.88922 179.2
[M-H]- 391.89272 176.1
[M+NH4]+ 410.93382 186.7
[M+K]+ 431.86316 163.6
[M+H-H2O]+ 375.89726 175.1
[M+HCOO]- 437.89820 183.1
[M+CH3COO]- 451.91385 219.8
[M+Na-2H]- 413.87467 172.0
[M]+ 392.89945 202.7
[M]- 392.90055 202.7
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.