CID 182662

2,3,4-tribromobiphenyl

Structural Information

Molecular Formula
C12H7Br3
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C=C2)Br)Br)Br
InChI
InChI=1S/C12H7Br3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
InChIKey
MKDZJIHLRSIZOV-UHFFFAOYSA-N
Compound name
1,2,3-tribromo-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

185
Patents

387.80978 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.81706 146.7
[M+Na]+ 410.79900 154.7
[M-H]- 386.80250 154.1
[M+NH4]+ 405.84360 161.1
[M+K]+ 426.77294 140.0
[M+H-H2O]+ 370.80704 162.1
[M+HCOO]- 432.80798 157.5
[M+CH3COO]- 446.82363 158.1
[M+Na-2H]- 408.78445 152.2
[M]+ 387.80923 187.4
[M]- 387.81033 187.4
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