CID 155822580

1-(1-bromoethyl)-3,5-dichloro-2-fluorobenzene

Structural Information

Molecular Formula
C8H6BrCl2F
SMILES
CC(C1=C(C(=CC(=C1)Cl)Cl)F)Br
InChI
InChI=1S/C8H6BrCl2F/c1-4(9)6-2-5(10)3-7(11)8(6)12/h2-4H,1H3
InChIKey
BZZHHPIWTPTZBN-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-3,5-dichloro-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.9014 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.90868 141.3
[M+Na]+ 292.89062 156.3
[M-H]- 268.89412 146.5
[M+NH4]+ 287.93522 163.4
[M+K]+ 308.86456 142.1
[M+H-H2O]+ 252.89866 143.0
[M+HCOO]- 314.89960 152.6
[M+CH3COO]- 328.91525 193.6
[M+Na-2H]- 290.87607 146.4
[M]+ 269.90085 161.4
[M]- 269.90195 161.4
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

No patent data available for this compound.