CID 64280

Brn 2731309

Structural Information

Molecular Formula
C12H16F3N
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC(F)(F)F
InChI
InChI=1S/C12H16F3N/c13-12(14,15)7-16-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
InChIKey
XGEDZBBTGDETFW-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2,2,2-trifluoroethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12349 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.130766 154.4
[M+Na]+ 254.112708 157.5
[M-H]- 230.116214 147.3
[M+NH4]+ 249.157313 179.5
[M+K]+ 270.086648 153.6
[M+H-H2O]+ 214.120750 145.9
[M+HCOO]- 276.121691 159.8
[M+CH3COO]- 290.137341 162.3
[M+Na-2H]- 252.098156 165.1
[M]+ 231.12294142 150.1
[M]- 231.12403858 150.1
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

No patent data available for this compound.