CID 98254

13908-95-7

Structural Information

Molecular Formula
C10H16FN3O2
SMILES
C1CC2CC1CC2NC(=O)N(CCF)N=O
InChI
InChI=1S/C10H16FN3O2/c11-3-4-14(13-16)10(15)12-9-6-7-1-2-8(9)5-7/h7-9H,1-6H2,(H,12,15)
InChIKey
LESTWYVGWLZSMR-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.12265 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12993 148.9
[M+Na]+ 252.11187 153.2
[M-H]- 228.11537 152.6
[M+NH4]+ 247.15647 172.0
[M+K]+ 268.08581 153.5
[M+H-H2O]+ 212.11991 141.9
[M+HCOO]- 274.12085 173.5
[M+CH3COO]- 288.13650 200.9
[M+Na-2H]- 250.09732 151.8
[M]+ 229.12210 147.8
[M]- 229.12320 147.8
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.