CID 288858

122631-62-3

Structural Information

Molecular Formula
C16H10Br2O2
SMILES
C1=CC=C(C=C1)C(C2(C(=O)C3=CC=CC=C3C2=O)Br)Br
InChI
InChI=1S/C16H10Br2O2/c17-13(10-6-2-1-3-7-10)16(18)14(19)11-8-4-5-9-12(11)15(16)20/h1-9,13H
InChIKey
FHJMGLKGPTXNQZ-UHFFFAOYSA-N
Compound name
2-bromo-2-[bromo(phenyl)methyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.90475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.91203 168.4
[M+Na]+ 414.89397 179.4
[M-H]- 390.89747 178.6
[M+NH4]+ 409.93857 188.2
[M+K]+ 430.86791 164.6
[M+H-H2O]+ 374.90201 177.3
[M+HCOO]- 436.90295 183.5
[M+CH3COO]- 450.91860 181.8
[M+Na-2H]- 412.87942 172.9
[M]+ 391.90420 202.8
[M]- 391.90530 202.8
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.