CID 208787

Urea, 1-(2-fluoroethyl)-3-nitro-

Structural Information

Molecular Formula
C3H6FN3O3
SMILES
C(CF)NC(=O)N[N+](=O)[O-]
InChI
InChI=1S/C3H6FN3O3/c4-1-2-5-3(8)6-7(9)10/h1-2H2,(H2,5,6,8)
InChIKey
XAOCRUPQPXSJEN-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)-3-nitrourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.03932 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04660 123.3
[M+Na]+ 174.02854 129.3
[M-H]- 150.03204 122.6
[M+NH4]+ 169.07314 142.9
[M+K]+ 190.00248 125.8
[M+H-H2O]+ 134.03658 121.7
[M+HCOO]- 196.03752 149.8
[M+CH3COO]- 210.05317 171.7
[M+Na-2H]- 172.01399 131.6
[M]+ 151.03877 119.4
[M]- 151.03987 119.4
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.