CID 119000535

1-bromo-4-fluoro-5-nitro-2-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C7H2BrF4NO2
SMILES
C1=C(C(=CC(=C1F)[N+](=O)[O-])Br)C(F)(F)F
InChI
InChI=1S/C7H2BrF4NO2/c8-4-2-6(13(14)15)5(9)1-3(4)7(10,11)12/h1-2H
InChIKey
KVCRYFRKEWXZJC-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoro-5-nitro-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.92778 150.2
[M+Na]+ 309.90972 163.6
[M-H]- 285.91322 152.5
[M+NH4]+ 304.95432 169.3
[M+K]+ 325.88366 148.1
[M+H-H2O]+ 269.91776 151.6
[M+HCOO]- 331.91870 168.4
[M+CH3COO]- 345.93435 190.8
[M+Na-2H]- 307.89517 157.2
[M]+ 286.91995 163.4
[M]- 286.92105 163.4
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

No patent data available for this compound.