CID 9920855

1-(1-bromoethyl)-3-chlorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

217.94978 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.957056 135.3
[M+Na]+ 240.938998 148.1
[M-H]- 216.942504 141.9
[M+NH4]+ 235.983603 158.6
[M+K]+ 256.912938 135.8
[M+H-H2O]+ 200.947040 137.0
[M+HCOO]- 262.947981 152.4
[M+CH3COO]- 276.963631 184.7
[M+Na-2H]- 238.924446 142.9
[M]+ 217.94923142 155.1
[M]- 217.95032858 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

No literature data available for this compound.

Patent stripe

patents stripe