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

14
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

literature stripe

Patent stripe

patents stripe