CID 208789

Urea, 1-cyclododecyl-3-(2-fluoroethyl)-3-nitroso-

Structural Information

Molecular Formula
C15H28FN3O2
SMILES
C1CCCCCC(CCCCC1)NC(=O)N(CCF)N=O
InChI
InChI=1S/C15H28FN3O2/c16-12-13-19(18-21)15(20)17-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13H2,(H,17,20)
InChIKey
QWCNUVGJRHARHM-UHFFFAOYSA-N
Compound name
3-cyclododecyl-1-(2-fluoroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.21655 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22383 169.9
[M+Na]+ 324.20577 168.9
[M-H]- 300.20927 170.4
[M+NH4]+ 319.25037 181.7
[M+K]+ 340.17971 169.7
[M+H-H2O]+ 284.21381 163.8
[M+HCOO]- 346.21475 189.2
[M+CH3COO]- 360.23040 208.0
[M+Na-2H]- 322.19122 169.7
[M]+ 301.21600 159.9
[M]- 301.21710 159.9
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

No patent data available for this compound.