CID 3373229

2-bromo-1,3-bis-dibromomethyl-benzene

Structural Information

Molecular Formula
C8H5Br5
SMILES
C1=CC(=C(C(=C1)C(Br)Br)Br)C(Br)Br
InChI
InChI=1S/C8H5Br5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,7-8H
InChIKey
CVEIWLXYEJNDAY-UHFFFAOYSA-N
Compound name
2-bromo-1,3-bis(dibromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

495.6308 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.63808 167.7
[M+Na]+ 518.62002 174.9
[M-H]- 494.62352 171.3
[M+NH4]+ 513.66462 175.2
[M+K]+ 534.59396 163.4
[M+H-H2O]+ 478.62806 185.1
[M+HCOO]- 540.62900 170.9
[M+CH3COO]- 554.64465 245.1
[M+Na-2H]- 516.60547 167.5
[M]+ 495.63025 197.9
[M]- 495.63135 197.9
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