CID 83259

2,3-dibromo-1,4-naphthoquinone

Structural Information

Molecular Formula
C10H4Br2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)Br
InChI
InChI=1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
InChIKey
PSMABVOYZJWFBV-UHFFFAOYSA-N
Compound name
2,3-dibromonaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

269
Patents

313.8578 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.86508 140.1
[M+Na]+ 336.84702 152.4
[M-H]- 312.85052 148.1
[M+NH4]+ 331.89162 159.9
[M+K]+ 352.82096 137.4
[M+H-H2O]+ 296.85506 148.8
[M+HCOO]- 358.85600 155.7
[M+CH3COO]- 372.87165 205.8
[M+Na-2H]- 334.83247 147.7
[M]+ 313.85725 174.5
[M]- 313.85835 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe