CID 79455402

1-(1,3-dibromopropan-2-yl)-4-methylbenzene

Structural Information

Molecular Formula
C10H12Br2
SMILES
CC1=CC=C(C=C1)C(CBr)CBr
InChI
InChI=1S/C10H12Br2/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5,10H,6-7H2,1H3
InChIKey
DYKLCMBGESOJSN-UHFFFAOYSA-N
Compound name
1-(1,3-dibromopropan-2-yl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.93057 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.937846 144.0
[M+Na]+ 312.919788 154.1
[M-H]- 288.923294 150.6
[M+NH4]+ 307.964393 163.5
[M+K]+ 328.893728 138.7
[M+H-H2O]+ 272.927830 152.2
[M+HCOO]- 334.928771 159.5
[M+CH3COO]- 348.944421 203.8
[M+Na-2H]- 310.905236 150.4
[M]+ 289.93002142 177.8
[M]- 289.93111858 177.8
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.