CID 19828180

1-(1-bromoethyl)-2-chlorobenzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
CC(C1=CC=CC=C1Cl)Br
InChI
InChI=1S/C8H8BrCl/c1-6(9)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey
QYKKDCRHMDKWFK-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-2-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

111
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 135.3
[M+Na]+ 240.93900 148.1
[M-H]- 216.94250 141.9
[M+NH4]+ 235.98360 158.6
[M+K]+ 256.91294 135.8
[M+H-H2O]+ 200.94704 137.0
[M+HCOO]- 262.94798 152.4
[M+CH3COO]- 276.96363 184.7
[M+Na-2H]- 238.92445 142.9
[M]+ 217.94923 155.1
[M]- 217.95033 155.1
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