CID 22913642

5-(2-bromoethyl)-1,2,3-trifluorobenzene

Structural Information

Molecular Formula
C8H6BrF3
SMILES
C1=C(C=C(C(=C1F)F)F)CCBr
InChI
InChI=1S/C8H6BrF3/c9-2-1-5-3-6(10)8(12)7(11)4-5/h3-4H,1-2H2
InChIKey
LPIPCUJEZWXEED-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.9605 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.967776 140.4
[M+Na]+ 260.949718 154.2
[M-H]- 236.953224 143.7
[M+NH4]+ 255.994323 162.3
[M+K]+ 276.923658 142.2
[M+H-H2O]+ 220.957760 138.7
[M+HCOO]- 282.958701 159.6
[M+CH3COO]- 296.974351 190.2
[M+Na-2H]- 258.935166 146.1
[M]+ 237.95995142 156.1
[M]- 237.96104858 156.1
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