CID 16757159

2-bromo-1,3,5-trifluoro-4-nitrobenzene

Structural Information

Molecular Formula
C6HBrF3NO2
SMILES
C1=C(C(=C(C(=C1F)Br)F)[N+](=O)[O-])F
InChI
InChI=1S/C6HBrF3NO2/c7-4-2(8)1-3(9)6(5(4)10)11(12)13/h1H
InChIKey
SYTFXOAIAHTGBO-UHFFFAOYSA-N
Compound name
2-bromo-1,3,5-trifluoro-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

254.91428 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.92156 140.8
[M+Na]+ 277.90350 154.9
[M-H]- 253.90700 144.5
[M+NH4]+ 272.94810 161.3
[M+K]+ 293.87744 139.7
[M+H-H2O]+ 237.91154 142.9
[M+HCOO]- 299.91248 161.7
[M+CH3COO]- 313.92813 186.8
[M+Na-2H]- 275.88895 147.4
[M]+ 254.91373 155.8
[M]- 254.91483 155.8
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