CID 9578699

2-propanone, 1-(alpha,alpha,alpha-trifluoro-m-tolyl)-, o-(2-diethylaminoethyl)oxime

Structural Information

Molecular Formula
C16H23F3N2O
SMILES
CCN(CC)CCO/N=C(\C)/CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C16H23F3N2O/c1-4-21(5-2)9-10-22-20-13(3)11-14-7-6-8-15(12-14)16(17,18)19/h6-8,12H,4-5,9-11H2,1-3H3/b20-13+
InChIKey
OFLSCEZYXUKABK-DEDYPNTBSA-N
Compound name
N,N-diethyl-2-[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17624 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18352 175.2
[M+Na]+ 339.16546 180.1
[M-H]- 315.16896 176.7
[M+NH4]+ 334.21006 190.5
[M+K]+ 355.13940 178.2
[M+H-H2O]+ 299.17350 164.7
[M+HCOO]- 361.17444 196.0
[M+CH3COO]- 375.19009 218.6
[M+Na-2H]- 337.15091 176.8
[M]+ 316.17569 175.5
[M]- 316.17679 175.5
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.