CID 530258

1,3,5-tris(bromomethyl)benzene

Structural Information

Molecular Formula
C9H9Br3
SMILES
C1=C(C=C(C=C1CBr)CBr)CBr
InChI
InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKey
GHITVUOBZBZMND-UHFFFAOYSA-N
Compound name
1,3,5-tris(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1937
Patents

353.82544 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.83272 140.5
[M+Na]+ 376.81466 148.7
[M-H]- 352.81816 146.1
[M+NH4]+ 371.85926 155.8
[M+K]+ 392.78860 133.3
[M+H-H2O]+ 336.82270 155.6
[M+HCOO]- 398.82364 151.1
[M+CH3COO]- 412.83929 220.4
[M+Na-2H]- 374.80011 146.2
[M]+ 353.82489 181.6
[M]- 353.82599 181.6
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