CID 183204

Butanamide, n-(2-bromo-4-nitrophenyl)-2,2,3,3,4,4,4-heptafluoro-

Structural Information

Molecular Formula
C10H4BrF7N2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4BrF7N2O3/c11-5-3-4(20(22)23)1-2-6(5)19-7(21)8(12,13)9(14,15)10(16,17)18/h1-3H,(H,19,21)
InChIKey
LQYYVICTYPJDDJ-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-nitrophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

411.92935 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.93663 178.3
[M+Na]+ 434.91857 189.1
[M-H]- 410.92207 176.4
[M+NH4]+ 429.96317 191.3
[M+K]+ 450.89251 172.9
[M+H-H2O]+ 394.92661 176.3
[M+HCOO]- 456.92755 189.7
[M+CH3COO]- 470.94320 212.1
[M+Na-2H]- 432.90402 184.3
[M]+ 411.92880 185.7
[M]- 411.92990 185.7
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.