CID 389053

Ef-5

Structural Information

Molecular Formula
C8H7F5N4O3
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)(F)F
InChI
InChI=1S/C8H7F5N4O3/c9-7(10,8(11,12)13)4-15-5(18)3-16-2-1-14-6(16)17(19)20/h1-2H,3-4H2,(H,15,18)
InChIKey
JGGDSDPOPRWSCX-UHFFFAOYSA-N
Compound name
2-(2-nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

96
References

77
Patents

302.04382 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05110 152.1
[M+Na]+ 325.03304 159.5
[M-H]- 301.03654 147.5
[M+NH4]+ 320.07764 165.0
[M+K]+ 341.00698 153.4
[M+H-H2O]+ 285.04108 145.9
[M+HCOO]- 347.04202 168.5
[M+CH3COO]- 361.05767 195.8
[M+Na-2H]- 323.01849 159.3
[M]+ 302.04327 144.4
[M]- 302.04437 144.4
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