CID 155821282

2-bromo-4-(1-chloroethyl)-1-methylbenzene

Structural Information

Molecular Formula
C9H10BrCl
SMILES
CC1=C(C=C(C=C1)C(C)Cl)Br
InChI
InChI=1S/C9H10BrCl/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5,7H,1-2H3
InChIKey
YOFCNLUOPBOVMF-UHFFFAOYSA-N
Compound name
2-bromo-4-(1-chloroethyl)-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.96544 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97272 138.6
[M+Na]+ 254.95466 144.1
[M+NH4]+ 249.99926 145.0
[M+K]+ 270.92860 142.6
[M-H]- 230.95816 140.2
[M+Na-2H]- 252.94011 143.3
[M]+ 231.96489 139.1
[M]- 231.96599 139.1
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.