CID 89140

2,4,6-tris(bromomethyl)mesitylene

Structural Information

Molecular Formula
C12H15Br3
SMILES
CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr
InChI
InChI=1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3
InChIKey
BHIFXIATEXVOQA-UHFFFAOYSA-N
Compound name
1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

815
Patents

395.87238 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.87966 148.2
[M+Na]+ 418.86160 156.9
[M-H]- 394.86510 154.0
[M+NH4]+ 413.90620 162.9
[M+K]+ 434.83554 141.0
[M+H-H2O]+ 378.86964 162.7
[M+HCOO]- 440.87058 158.0
[M+CH3COO]- 454.88623 227.0
[M+Na-2H]- 416.84705 151.7
[M]+ 395.87183 190.1
[M]- 395.87293 190.1
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