CID 79431768

1-bromo-3-(1-bromobutan-2-yl)benzene

Structural Information

Molecular Formula
C10H12Br2
SMILES
CCC(CBr)C1=CC(=CC=C1)Br
InChI
InChI=1S/C10H12Br2/c1-2-8(7-11)9-4-3-5-10(12)6-9/h3-6,8H,2,7H2,1H3
InChIKey
AIKCQZCQPCOPHQ-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-bromobutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.93057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93785 144.0
[M+Na]+ 312.91979 154.1
[M-H]- 288.92329 150.6
[M+NH4]+ 307.96439 163.5
[M+K]+ 328.89373 138.7
[M+H-H2O]+ 272.92783 152.2
[M+HCOO]- 334.92877 159.5
[M+CH3COO]- 348.94442 203.8
[M+Na-2H]- 310.90524 150.4
[M]+ 289.93002 177.8
[M]- 289.93112 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.