CID 14495644

1-(2-bromoethyl)-2,3-difluorobenzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
C1=CC(=C(C(=C1)F)F)CCBr
InChI
InChI=1S/C8H7BrF2/c9-5-4-6-2-1-3-7(10)8(6)11/h1-3H,4-5H2
InChIKey
SWRNHMXIOFDOLQ-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

219.96992 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.977196 137.1
[M+Na]+ 242.959138 150.0
[M-H]- 218.962644 141.4
[M+NH4]+ 238.003743 159.6
[M+K]+ 258.933078 138.5
[M+H-H2O]+ 202.967180 136.2
[M+HCOO]- 264.968121 157.4
[M+CH3COO]- 278.983771 186.5
[M+Na-2H]- 240.944586 144.1
[M]+ 219.96937142 153.7
[M]- 219.97046858 153.7
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