CID 130164636

2-(1-bromoethyl)-1-chloro-3-fluorobenzene

Structural Information

Molecular Formula
C8H7BrClF
SMILES
CC(C1=C(C=CC=C1Cl)F)Br
InChI
InChI=1S/C8H7BrClF/c1-5(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3
InChIKey
XOQLHIDMUGDYTA-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-1-chloro-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.94037 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.947646 138.1
[M+Na]+ 258.929588 151.7
[M-H]- 234.933094 143.6
[M+NH4]+ 253.974193 160.8
[M+K]+ 274.903528 138.9
[M+H-H2O]+ 218.937630 138.9
[M+HCOO]- 280.938571 154.1
[M+CH3COO]- 294.954221 188.3
[M+Na-2H]- 256.915036 144.3
[M]+ 235.93982142 157.1
[M]- 235.94091858 157.1
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