CID 4419126

95026-79-2

Structural Information

Molecular Formula
C22H14Br4
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)C(Br)Br)C(Br)Br
InChI
InChI=1S/C22H14Br4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12,21-22H
InChIKey
LPOJJGAIBYMCBV-UHFFFAOYSA-N
Compound name
2-(dibromomethyl)-1-[2-(dibromomethyl)naphthalen-1-yl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

593.7829 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.79018 175.4
[M+Na]+ 616.77212 179.4
[M-H]- 592.77562 180.5
[M+NH4]+ 611.81672 183.7
[M+K]+ 632.74606 168.9
[M+H-H2O]+ 576.78016 193.7
[M+HCOO]- 638.78110 179.4
[M+CH3COO]- 652.79675 181.2
[M+Na-2H]- 614.75757 176.3
[M]+ 593.78235 213.5
[M]- 593.78345 213.5
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