CID 46735225

2,3-dibromo-5-fluorobenzotrifluoride

Structural Information

Molecular Formula
C7H2Br2F4
SMILES
C1=C(C=C(C(=C1C(F)(F)F)Br)Br)F
InChI
InChI=1S/C7H2Br2F4/c8-5-2-3(10)1-4(6(5)9)7(11,12)13/h1-2H
InChIKey
GTORMFGZNQYAHS-UHFFFAOYSA-N
Compound name
1,2-dibromo-5-fluoro-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

319.84595 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.853226 150.3
[M+Na]+ 342.835168 163.3
[M-H]- 318.838674 153.7
[M+NH4]+ 337.879773 169.1
[M+K]+ 358.809108 146.9
[M+H-H2O]+ 302.843210 156.3
[M+HCOO]- 364.844151 162.7
[M+CH3COO]- 378.859801 206.2
[M+Na-2H]- 340.820616 155.4
[M]+ 319.84540142 179.7
[M]- 319.84649858 179.7
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