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

14
Patents

237.9605 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96778 140.4
[M+Na]+ 260.94972 154.2
[M-H]- 236.95322 143.7
[M+NH4]+ 255.99432 162.3
[M+K]+ 276.92366 142.2
[M+H-H2O]+ 220.95776 138.7
[M+HCOO]- 282.95870 159.6
[M+CH3COO]- 296.97435 190.2
[M+Na-2H]- 258.93517 146.1
[M]+ 237.95995 156.1
[M]- 237.96105 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