CID 11458660

1-bromo-2-(2-chloroethyl)benzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
C1=CC=C(C(=C1)CCCl)Br
InChI
InChI=1S/C8H8BrCl/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6H2
InChIKey
FFJNMAJBMVALKU-UHFFFAOYSA-N
Compound name
1-bromo-2-(2-chloroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

217.94978 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.957056 135.0
[M+Na]+ 240.938998 148.1
[M-H]- 216.942504 141.5
[M+NH4]+ 235.983603 158.4
[M+K]+ 256.912938 135.4
[M+H-H2O]+ 200.947040 136.7
[M+HCOO]- 262.947981 153.1
[M+CH3COO]- 276.963631 184.0
[M+Na-2H]- 238.924446 143.8
[M]+ 217.94923142 155.4
[M]- 217.95032858 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

No literature data available for this compound.

Patent stripe

patents stripe