CID 144295

3-bromo-4-fluorobenzotrifluoride

Structural Information

Molecular Formula
C7H3BrF4
SMILES
C1=CC(=C(C=C1C(F)(F)F)Br)F
InChI
InChI=1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChIKey
RZJOIMPUMMQKFR-UHFFFAOYSA-N
Compound name
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
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

literature stripe

Patent stripe

patents stripe