CID 2324689

N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide

Structural Information

Molecular Formula
C11H6F7N3O5
SMILES
C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F7N3O5/c12-9(13,10(14,15)11(16,17)18)4-19-8(22)5-1-6(20(23)24)3-7(2-5)21(25)26/h1-3H,4H2,(H,19,22)
InChIKey
BRSZPPFUROSCNA-UHFFFAOYSA-N
Compound name
N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.01956 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.02684 179.8
[M+Na]+ 416.00878 182.8
[M+NH4]+ 411.05338 184.7
[M+K]+ 431.98272 187.2
[M-H]- 392.01228 178.1
[M+Na-2H]- 413.99423 177.9
[M]+ 393.01901 181.1
[M]- 393.02011 181.1
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.