CID 79691

2,3,4,5-tetrafluoronitrobenzene

Structural Information

Molecular Formula
C6HF4NO2
SMILES
C1=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-]
InChI
InChI=1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChIKey
MKMDVNZEIQDZEP-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrafluoro-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

194.99434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.00162 126.7
[M+Na]+ 217.98356 138.1
[M-H]- 193.98706 126.5
[M+NH4]+ 213.02816 146.0
[M+K]+ 233.95750 131.6
[M+H-H2O]+ 177.99160 123.0
[M+HCOO]- 239.99254 149.2
[M+CH3COO]- 254.00819 179.4
[M+Na-2H]- 215.96901 132.4
[M]+ 194.99379 121.4
[M]- 194.99489 121.4
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