CID 65814350

1-(1-bromopropan-2-yl)-3-chlorobenzene

Structural Information

Molecular Formula
C9H10BrCl
SMILES
CC(CBr)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H10BrCl/c1-7(6-10)8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3
InChIKey
JRRLIRVSHWJACG-UHFFFAOYSA-N
Compound name
1-(1-bromopropan-2-yl)-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.96544 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97272 139.2
[M+Na]+ 254.95466 144.4
[M+NH4]+ 249.99926 145.6
[M+K]+ 270.92860 142.7
[M-H]- 230.95816 140.8
[M+Na-2H]- 252.94011 144.1
[M]+ 231.96489 139.7
[M]- 231.96599 139.7
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.