CID 4530279

49610-35-7

Structural Information

Molecular Formula
C20H12Br2
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)C3=CC=C(C4=CC=CC=C43)Br
InChI
InChI=1S/C20H12Br2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H
InChIKey
XRPQXUVMYUMLIC-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

409.93057 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.93785 172.9
[M+Na]+ 432.91979 184.0
[M-H]- 408.92329 183.4
[M+NH4]+ 427.96439 189.9
[M+K]+ 448.89373 168.8
[M+H-H2O]+ 392.92783 180.6
[M+HCOO]- 454.92877 188.0
[M+CH3COO]- 468.94442 185.7
[M+Na-2H]- 430.90524 180.6
[M]+ 409.93002 207.4
[M]- 409.93112 207.4
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