CID 13828263

932710-55-9

Structural Information

Molecular Formula
C10H6F5NO
SMILES
C=C/C=N/OCC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C10H6F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H,1,4H2/b16-3+
InChIKey
ICDUEGOPUWNJNF-HQYXKAPLSA-N
Compound name
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]prop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03696 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04424 144.6
[M+Na]+ 274.02618 156.7
[M-H]- 250.02968 144.2
[M+NH4]+ 269.07078 163.1
[M+K]+ 290.00012 152.5
[M+H-H2O]+ 234.03422 134.4
[M+HCOO]- 296.03516 166.5
[M+CH3COO]- 310.05081 201.3
[M+Na-2H]- 272.01163 146.6
[M]+ 251.03641 141.8
[M]- 251.03751 141.8
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.