CID 5464091

Nifluridide

Structural Information

Molecular Formula
C10H6F7N3O3
SMILES
C1=C(C=C(C(=C1NC(=O)C(C(F)F)(F)F)N)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C10H6F7N3O3/c11-7(12)9(13,14)8(21)19-4-1-3(10(15,16)17)2-5(6(4)18)20(22)23/h1-2,7H,18H2,(H,19,21)
InChIKey
YUANPWFOQAEKNA-UHFFFAOYSA-N
Compound name
N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

5323
Patents

349.02972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03700 159.4
[M+Na]+ 372.01894 167.2
[M-H]- 348.02244 154.3
[M+NH4]+ 367.06354 170.8
[M+K]+ 387.99288 160.0
[M+H-H2O]+ 332.02698 152.5
[M+HCOO]- 394.02792 174.1
[M+CH3COO]- 408.04357 209.5
[M+Na-2H]- 370.00439 162.4
[M]+ 349.02917 146.7
[M]- 349.03027 146.7
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