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

31
Patents

319.84595 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.85323 150.3
[M+Na]+ 342.83517 163.3
[M-H]- 318.83867 153.7
[M+NH4]+ 337.87977 169.1
[M+K]+ 358.80911 146.9
[M+H-H2O]+ 302.84321 156.3
[M+HCOO]- 364.84415 162.7
[M+CH3COO]- 378.85980 206.2
[M+Na-2H]- 340.82062 155.4
[M]+ 319.84540 179.7
[M]- 319.84650 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