CID 2773345

2-bromo-6-fluorobenzotrifluoride

Structural Information

Molecular Formula
C7H3BrF4
SMILES
C1=CC(=C(C(=C1)Br)C(F)(F)F)F
InChI
InChI=1S/C7H3BrF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKey
LOXSSZUHCPBDMD-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
Patents

241.93542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94270 141.7
[M+Na]+ 264.92464 155.5
[M-H]- 240.92814 143.8
[M+NH4]+ 259.96924 163.2
[M+K]+ 280.89858 143.7
[M+H-H2O]+ 224.93268 139.6
[M+HCOO]- 286.93362 158.7
[M+CH3COO]- 300.94927 188.7
[M+Na-2H]- 262.91009 148.2
[M]+ 241.93487 154.8
[M]- 241.93597 154.8
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