CID 364596

Nsc631086

Structural Information

Molecular Formula
C18H20F3N
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C18H20F3N/c19-18(20,21)16-4-2-1-3-15(16)11-22-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2
InChIKey
RUJYCLYAUYIMSU-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-[2-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1548 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16208 172.7
[M+Na]+ 330.14402 175.4
[M-H]- 306.14752 168.4
[M+NH4]+ 325.18862 194.6
[M+K]+ 346.11796 169.6
[M+H-H2O]+ 290.15206 161.6
[M+HCOO]- 352.15300 177.5
[M+CH3COO]- 366.16865 179.4
[M+Na-2H]- 328.12947 181.9
[M]+ 307.15425 168.4
[M]- 307.15535 168.4
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.