CID 83807

13908-93-5

Structural Information

Molecular Formula
C9H16FN3O2
SMILES
C1CCC(CC1)NC(=O)N(CCF)N=O
InChI
InChI=1S/C9H16FN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChIKey
SIJUHDYJDHLNLY-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

217.12265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12993 146.7
[M+Na]+ 240.11187 149.3
[M-H]- 216.11537 150.4
[M+NH4]+ 235.15647 164.9
[M+K]+ 256.08581 150.2
[M+H-H2O]+ 200.11991 138.1
[M+HCOO]- 262.12085 170.7
[M+CH3COO]- 276.13650 197.9
[M+Na-2H]- 238.09732 150.7
[M]+ 217.12210 142.6
[M]- 217.12320 142.6
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