CID 169270

Tribromoethylbenzene

Structural Information

Molecular Formula
C8H7Br3
SMILES
C1=CC=C(C=C1)CC(Br)(Br)Br
InChI
InChI=1S/C8H7Br3/c9-8(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
BZQONKLQDOHILP-UHFFFAOYSA-N
Compound name
2,2,2-tribromoethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

339.80978 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.81706 143.8
[M+Na]+ 362.79900 151.7
[M-H]- 338.80250 149.4
[M+NH4]+ 357.84360 159.2
[M+K]+ 378.77294 136.6
[M+H-H2O]+ 322.80704 159.4
[M+HCOO]- 384.80798 153.7
[M+CH3COO]- 398.82363 217.5
[M+Na-2H]- 360.78445 150.4
[M]+ 339.80923 184.1
[M]- 339.81033 184.1
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

No patent data available for this compound.