CID 620140

4-bromo-2,3,5,6-tetrafluorobenzonitrile

Structural Information

Molecular Formula
C7BrF4N
SMILES
C(#N)C1=C(C(=C(C(=C1F)F)Br)F)F
InChI
InChI=1S/C7BrF4N/c8-3-6(11)4(9)2(1-13)5(10)7(3)12
InChIKey
STJZOKCIEOTPDV-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetrafluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

252.91502 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92230 131.7
[M+Na]+ 275.90424 148.5
[M-H]- 251.90774 132.9
[M+NH4]+ 270.94884 151.0
[M+K]+ 291.87818 136.4
[M+H-H2O]+ 235.91228 123.0
[M+HCOO]- 297.91322 149.5
[M+CH3COO]- 311.92887 203.9
[M+Na-2H]- 273.88969 136.3
[M]+ 252.91447 140.1
[M]- 252.91557 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe