CID 64281

N-(2,2,3,3,3-pentafluoropropylidene)-1-adamantanamine

Structural Information

Molecular Formula
C13H16F5N
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC(C(F)(F)F)(F)F
InChI
InChI=1S/C13H16F5N/c14-12(15,13(16,17)18)7-19-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
InChIKey
RYDMYGVDLQMMCE-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2,2,3,3,3-pentafluoropropan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1203 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12758 169.4
[M+Na]+ 304.10952 172.8
[M-H]- 280.11302 159.7
[M+NH4]+ 299.15412 192.4
[M+K]+ 320.08346 168.3
[M+H-H2O]+ 264.11756 159.7
[M+HCOO]- 326.11850 170.8
[M+CH3COO]- 340.13415 209.9
[M+Na-2H]- 302.09497 179.0
[M]+ 281.11975 162.7
[M]- 281.12085 162.7
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

patents stripe