CID 52309

73728-57-1

Structural Information

Molecular Formula
C14H8Br2N2O3
SMILES
C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C(C(=C31)Br)NC=O)Br
InChI
InChI=1S/C14H8Br2N2O3/c15-12-5-10-9-2-1-8(18(20)21)3-7(9)4-11(10)13(16)14(12)17-6-19/h1-3,5-6H,4H2,(H,17,19)
InChIKey
NENSBIQXKBXLLS-UHFFFAOYSA-N
Compound name
N-(1,3-dibromo-7-nitro-9H-fluoren-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.89017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.89745 176.0
[M+Na]+ 432.87939 186.0
[M-H]- 408.88289 184.1
[M+NH4]+ 427.92399 193.3
[M+K]+ 448.85333 167.2
[M+H-H2O]+ 392.88743 185.5
[M+HCOO]- 454.88837 192.5
[M+CH3COO]- 468.90402 217.4
[M+Na-2H]- 430.86484 182.0
[M]+ 409.88962 210.6
[M]- 409.89072 210.6
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.