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

45
Patents

241.93542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.942696 139.0
[M+Na]+ 264.924638 154.0
[M-H]- 240.928144 141.5
[M+NH4]+ 259.969243 160.9
[M+K]+ 280.898578 141.9
[M+H-H2O]+ 224.932680 136.7
[M+HCOO]- 286.933621 157.5
[M+CH3COO]- 300.949271 191.1
[M+Na-2H]- 262.910086 143.8
[M]+ 241.93487142 153.4
[M]- 241.93596858 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