CID 104377

53001-73-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
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

literature stripe

Patent stripe

patents stripe