CID 74484

1765-40-8

Structural Information

Molecular Formula
C7H2BrF5
SMILES
C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
InChI
InChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChIKey
XDEPVFFKOVDUNO-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

90
References

1417
Patents

259.926 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.93328 142.4
[M+Na]+ 282.91522 158.2
[M-H]- 258.91872 143.9
[M+NH4]+ 277.95982 163.7
[M+K]+ 298.88916 145.7
[M+H-H2O]+ 242.92326 139.3
[M+HCOO]- 304.92420 159.8
[M+CH3COO]- 318.93985 194.9
[M+Na-2H]- 280.90067 145.8
[M]+ 259.92545 155.9
[M]- 259.92655 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

literature stripe

Patent stripe

patents stripe