CID 77510

3905-96-2

Structural Information

Molecular Formula
C12F8N2O4
SMILES
C1(=C(C(=C(C(=C1F)F)[N+](=O)[O-])F)F)C2=C(C(=C(C(=C2F)F)[N+](=O)[O-])F)F
InChI
InChI=1S/C12F8N2O4/c13-3-1(4(14)8(18)11(7(3)17)21(23)24)2-5(15)9(19)12(22(25)26)10(20)6(2)16
InChIKey
FHSUVJURYZPEIO-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-nitro-6-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.97302 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.980296 169.5
[M+Na]+ 410.962238 182.2
[M-H]- 386.965744 168.1
[M+NH4]+ 406.006843 179.9
[M+K]+ 426.936178 168.5
[M+H-H2O]+ 370.970280 164.7
[M+HCOO]- 432.971221 186.7
[M+CH3COO]- 446.986871 213.6
[M+Na-2H]- 408.947686 169.7
[M]+ 387.97247142 160.1
[M]- 387.97356858 160.1
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.