CID 79432013

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

Structural Information

Molecular Formula
C10H12BrCl
SMILES
CCC(CCl)C1=CC(=CC=C1)Br
InChI
InChI=1S/C10H12BrCl/c1-2-8(7-12)9-4-3-5-10(11)6-9/h3-6,8H,2,7H2,1H3
InChIKey
YDKGIAYOUALFTB-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-chlorobutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.9811 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98838 144.9
[M+Na]+ 268.97032 156.8
[M-H]- 244.97382 151.0
[M+NH4]+ 264.01492 167.0
[M+K]+ 284.94426 144.0
[M+H-H2O]+ 228.97836 146.1
[M+HCOO]- 290.97930 161.3
[M+CH3COO]- 304.99495 190.3
[M+Na-2H]- 266.95577 151.3
[M]+ 245.98055 165.3
[M]- 245.98165 165.3
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.