CID 46781165

192876-02-1

Structural Information

Molecular Formula
C14H19F3N2O2
SMILES
C1=CC(=CC=C1/C(=N/OCCN)/CCCCO)C(F)(F)F
InChI
InChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+
InChIKey
GCSLDHTZSDNYEC-CPNJWEJPSA-N
Compound name
(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

45
Patents

304.13986 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14714 168.6
[M+Na]+ 327.12908 173.6
[M-H]- 303.13258 167.0
[M+NH4]+ 322.17368 182.6
[M+K]+ 343.10302 170.1
[M+H-H2O]+ 287.13712 158.7
[M+HCOO]- 349.13806 187.7
[M+CH3COO]- 363.15371 208.1
[M+Na-2H]- 325.11453 170.6
[M]+ 304.13931 165.4
[M]- 304.14041 165.4
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.