CID 255842

1-fluoro-1,1,3-propanetricarboxamide

Structural Information

Molecular Formula
C6H10FN3O3
SMILES
C(CC(C(=O)N)(C(=O)N)F)C(=O)N
InChI
InChI=1S/C6H10FN3O3/c7-6(4(9)12,5(10)13)2-1-3(8)11/h1-2H2,(H2,8,11)(H2,9,12)(H2,10,13)
InChIKey
ROIBLFPIPDWQSB-UHFFFAOYSA-N
Compound name
1-fluoropropane-1,1,3-tricarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07062 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07790 138.1
[M+Na]+ 214.05984 143.2
[M-H]- 190.06334 135.6
[M+NH4]+ 209.10444 155.3
[M+K]+ 230.03378 143.0
[M+H-H2O]+ 174.06788 131.6
[M+HCOO]- 236.06882 158.7
[M+CH3COO]- 250.08447 189.5
[M+Na-2H]- 212.04529 139.1
[M]+ 191.07007 132.2
[M]- 191.07117 132.2
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.