CID 195097

Acetaldehyde-o-pentafluorobenzyloxime

Structural Information

Molecular Formula
C9H6F5NO
SMILES
CC=NOCC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C9H6F5NO/c1-2-15-16-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,3H2,1H3
InChIKey
AKDRYEADQPNLOH-UHFFFAOYSA-N
Compound name
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.03696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04424 141.5
[M+Na]+ 262.02618 153.7
[M-H]- 238.02968 141.3
[M+NH4]+ 257.07078 160.5
[M+K]+ 278.00012 150.4
[M+H-H2O]+ 222.03422 131.4
[M+HCOO]- 284.03516 163.5
[M+CH3COO]- 298.05081 199.1
[M+Na-2H]- 260.01163 143.9
[M]+ 239.03641 139.0
[M]- 239.03751 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.