CID 44119401

4-bromo-1-chloro-2-ethylbenzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
CCC1=C(C=CC(=C1)Br)Cl
InChI
InChI=1S/C8H8BrCl/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
InChIKey
ILQNJGBEXZUYOI-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-2-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

217.94978 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95706 135.1
[M+Na]+ 240.93900 141.1
[M+NH4]+ 235.98360 141.8
[M+K]+ 256.91294 139.1
[M-H]- 216.94250 137.0
[M+Na-2H]- 238.92445 140.4
[M]+ 217.94923 135.8
[M]- 217.95033 135.8
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

patents stripe