CID 2756963

16793-91-2

Structural Information

Molecular Formula
C8H8BrCl
SMILES
C1=CC=C(C(=C1)CCBr)Cl
InChI
InChI=1S/C8H8BrCl/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey
AECBVDLERUETKG-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

217.94978 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95706 135.0
[M+Na]+ 240.93900 148.1
[M-H]- 216.94250 141.5
[M+NH4]+ 235.98360 158.4
[M+K]+ 256.91294 135.4
[M+H-H2O]+ 200.94704 136.7
[M+HCOO]- 262.94798 153.1
[M+CH3COO]- 276.96363 184.0
[M+Na-2H]- 238.92445 143.8
[M]+ 217.94923 155.4
[M]- 217.95033 155.4
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