CID 4644108

2,2''-bis-bromomethyl-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula
C20H16Br2
SMILES
C1=CC=C(C(=C1)CBr)C2=CC(=CC=C2)C3=CC=CC=C3CBr
InChI
InChI=1S/C20H16Br2/c21-13-17-6-1-3-10-19(17)15-8-5-9-16(12-15)20-11-4-2-7-18(20)14-22/h1-12H,13-14H2
InChIKey
GDUCIQRQVAVZCJ-UHFFFAOYSA-N
Compound name
1,3-bis[2-(bromomethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.96188 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.96916 174.6
[M+Na]+ 436.95110 183.7
[M-H]- 412.95460 185.5
[M+NH4]+ 431.99570 189.7
[M+K]+ 452.92504 167.8
[M+H-H2O]+ 396.95914 181.8
[M+HCOO]- 458.96008 190.1
[M+CH3COO]- 472.97573 186.8
[M+Na-2H]- 434.93655 179.6
[M]+ 413.96133 208.1
[M]- 413.96243 208.1
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

patents stripe