CID 85772

1-(1-bromoethyl)-4-chlorobenzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
CC(C1=CC=C(C=C1)Cl)Br
InChI
InChI=1S/C8H8BrCl/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKey
JYQIUMNHRQYUHC-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

217.94978 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95706 134.6
[M+Na]+ 240.93900 140.0
[M+NH4]+ 235.98360 141.2
[M+K]+ 256.91294 138.6
[M-H]- 216.94250 136.3
[M+Na-2H]- 238.92445 139.8
[M]+ 217.94923 135.1
[M]- 217.95033 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe