CID 259451

(2-fluoroethyl)urea

Structural Information

Molecular Formula
C3H7FN2O
SMILES
C(CF)NC(=O)N
InChI
InChI=1S/C3H7FN2O/c4-1-2-6-3(5)7/h1-2H2,(H3,5,6,7)
InChIKey
SNHLRJSKPOPBPO-UHFFFAOYSA-N
Compound name
2-fluoroethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

106.05424 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06152 117.9
[M+Na]+ 129.04346 124.7
[M-H]- 105.04696 116.7
[M+NH4]+ 124.08806 139.9
[M+K]+ 145.01740 124.7
[M+H-H2O]+ 89.051500 112.1
[M+HCOO]- 151.05244 142.4
[M+CH3COO]- 165.06809 170.9
[M+Na-2H]- 127.02891 124.0
[M]+ 106.05369 114.1
[M]- 106.05479 114.1
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