CID 130139979

4-(1-bromoethyl)-1-chloro-2-fluorobenzene

Structural Information

Molecular Formula
C8H7BrClF
SMILES
CC(C1=CC(=C(C=C1)Cl)F)Br
InChI
InChI=1S/C8H7BrClF/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3
InChIKey
DRYODLAPDPIMQU-UHFFFAOYSA-N
Compound name
4-(1-bromoethyl)-1-chloro-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.94037 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.94765 139.6
[M+Na]+ 258.92959 144.3
[M+NH4]+ 253.97419 145.3
[M+K]+ 274.90353 143.0
[M-H]- 234.93309 139.9
[M+Na-2H]- 256.91504 143.7
[M]+ 235.93982 139.5
[M]- 235.94092 139.5
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

No patent data available for this compound.