CID 61097497

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

Structural Information

Molecular Formula
C8H6BrF3
SMILES
CC(C1=C(C=C(C=C1F)F)F)Br
InChI
InChI=1S/C8H6BrF3/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-4H,1H3
InChIKey
QVJZQPICUDKELK-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-1,3,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 140.9
[M+Na]+ 260.949718 154.3
[M-H]- 236.953224 144.2
[M+NH4]+ 255.994323 162.7
[M+K]+ 276.923658 142.8
[M+H-H2O]+ 220.957760 139.2
[M+HCOO]- 282.958701 159.1
[M+CH3COO]- 296.974351 191.0
[M+Na-2H]- 258.935166 145.3
[M]+ 237.95995142 155.9
[M]- 237.96104858 155.9
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