CID 116717

Einecs 275-032-3

Structural Information

Molecular Formula
C22H18Br2
SMILES
C1C(CC2=CC=CC=C2C1Br)C3=CC=C(C=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H18Br2/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22H,13-14H2
InChIKey
BWKINSGUBIEAFH-UHFFFAOYSA-N
Compound name
1-bromo-3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.97754 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.98482 184.0
[M+Na]+ 462.96676 192.1
[M-H]- 438.97026 195.1
[M+NH4]+ 458.01136 198.8
[M+K]+ 478.94070 176.8
[M+H-H2O]+ 422.97480 191.1
[M+HCOO]- 484.97574 196.5
[M+CH3COO]- 498.99139 195.0
[M+Na-2H]- 460.95221 187.8
[M]+ 439.97699 214.8
[M]- 439.97809 214.8
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.