CID 59386315

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 150.2
[M+Na]+ 260.94972 152.7
[M+NH4]+ 255.99432 153.8
[M+K]+ 276.92366 151.7
[M-H]- 236.95322 147.6
[M+Na-2H]- 258.93517 151.8
[M]+ 237.95995 148.6
[M]- 237.96105 148.6
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