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 171.1
[M+Na]+ 620.80342 166.5
[M+NH4]+ 615.84802 172.1
[M+K]+ 636.77736 172.0
[M-H]- 596.80692 173.5
[M+Na-2H]- 618.78887 172.3
[M]+ 597.81365 171.7
[M]- 597.81475 171.7
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.