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

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 138.1
[M+Na]+ 258.92959 151.7
[M-H]- 234.93309 143.6
[M+NH4]+ 253.97419 160.8
[M+K]+ 274.90353 138.9
[M+H-H2O]+ 218.93763 138.9
[M+HCOO]- 280.93857 154.1
[M+CH3COO]- 294.95422 188.3
[M+Na-2H]- 256.91504 144.3
[M]+ 235.93982 157.1
[M]- 235.94092 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

No patent data available for this compound.