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]+ 232.13077 154.4
[M+Na]+ 254.11271 157.5
[M-H]- 230.11621 147.3
[M+NH4]+ 249.15731 179.5
[M+K]+ 270.08665 153.6
[M+H-H2O]+ 214.12075 145.9
[M+HCOO]- 276.12169 159.8
[M+CH3COO]- 290.13734 162.3
[M+Na-2H]- 252.09816 165.1
[M]+ 231.12294 150.1
[M]- 231.12404 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.