CID 2734024

2,3,4,5-tetrafluorobenzyl bromide

Structural Information

Molecular Formula
C7H3BrF4
SMILES
C1=C(C(=C(C(=C1F)F)F)F)CBr
InChI
InChI=1S/C7H3BrF4/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1H,2H2
InChIKey
WTKVWOHBTGWNEO-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,4,5-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

241.93542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94270 139.0
[M+Na]+ 264.92464 154.0
[M-H]- 240.92814 141.5
[M+NH4]+ 259.96924 160.9
[M+K]+ 280.89858 141.9
[M+H-H2O]+ 224.93268 136.7
[M+HCOO]- 286.93362 157.5
[M+CH3COO]- 300.94927 191.1
[M+Na-2H]- 262.91009 143.8
[M]+ 241.93487 153.4
[M]- 241.93597 153.4
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