CID 9578289

114611-59-5

Structural Information

Molecular Formula
C9H6F5NO
SMILES
C/C=N/OCC1=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/b15-2+
InChIKey
AKDRYEADQPNLOH-RSSMCMFDSA-N
Compound name
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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

patents stripe