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

317
Patents

241.93542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.942696 141.7
[M+Na]+ 264.924638 155.5
[M-H]- 240.928144 143.8
[M+NH4]+ 259.969243 163.2
[M+K]+ 280.898578 143.7
[M+H-H2O]+ 224.932680 139.6
[M+HCOO]- 286.933621 158.7
[M+CH3COO]- 300.949271 188.7
[M+Na-2H]- 262.910086 148.2
[M]+ 241.93487142 154.8
[M]- 241.93596858 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