CID 10765693

119707-74-3

Structural Information

Molecular Formula
C20H12Br2O2
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)Br)O)O)Br
InChI
InChI=1S/C20H12Br2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,23-24H
InChIKey
BRTBEAXHUYEXSY-UHFFFAOYSA-N
Compound name
3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

92
Patents

441.9204 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.92768 178.7
[M+Na]+ 464.90962 189.4
[M-H]- 440.91312 187.4
[M+NH4]+ 459.95422 193.6
[M+K]+ 480.88356 174.1
[M+H-H2O]+ 424.91766 185.8
[M+HCOO]- 486.91860 191.3
[M+CH3COO]- 500.93425 190.4
[M+Na-2H]- 462.89507 184.4
[M]+ 441.91985 213.0
[M]- 441.92095 213.0
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