CID 207920

Brn 2729102

Structural Information

Molecular Formula
C9H12F5N
SMILES
C1CCC(CC1)N=CC(C(F)(F)F)(F)F
InChI
InChI=1S/C9H12F5N/c10-8(11,9(12,13)14)6-15-7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey
WTIGDRBLDWNVEI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2,2,3,3,3-pentafluoropropan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08899 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09627 145.9
[M+Na]+ 252.07821 151.3
[M-H]- 228.08171 143.3
[M+NH4]+ 247.12281 163.8
[M+K]+ 268.05215 149.0
[M+H-H2O]+ 212.08625 136.0
[M+HCOO]- 274.08719 160.2
[M+CH3COO]- 288.10284 192.6
[M+Na-2H]- 250.06366 150.1
[M]+ 229.08844 134.5
[M]- 229.08954 134.5
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.