CID 4099492

2,6,2'',6''-tetrakis-bromomethyl-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula
C22H18Br4
SMILES
C1=CC(=CC(=C1)C2=C(C=CC=C2CBr)CBr)C3=C(C=CC=C3CBr)CBr
InChI
InChI=1S/C22H18Br4/c23-11-17-6-2-7-18(12-24)21(17)15-4-1-5-16(10-15)22-19(13-25)8-3-9-20(22)14-26/h1-10H,11-14H2
InChIKey
JLXQRMVKTNNZDF-UHFFFAOYSA-N
Compound name
2-[3-[2,6-bis(bromomethyl)phenyl]phenyl]-1,3-bis(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.8142 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.82148 176.3
[M+Na]+ 620.80342 180.8
[M-H]- 596.80692 181.9
[M+NH4]+ 615.84802 184.2
[M+K]+ 636.77736 168.8
[M+H-H2O]+ 580.81146 194.3
[M+HCOO]- 642.81240 181.2
[M+CH3COO]- 656.82805 182.2
[M+Na-2H]- 618.78887 176.4
[M]+ 597.81365 214.9
[M]- 597.81475 214.9
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.