CID 9603567

Crotonaldehyde-o-pentafluorophenylmethyl-oxime

Structural Information

Molecular Formula
C11H8F5NO
SMILES
C/C=C/C=N/OCC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C11H8F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-4H,5H2,1H3/b3-2+,17-4+
InChIKey
QNPFFCQTVXPCLD-GFJWLWTISA-N
Compound name
(E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0526 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05988 149.6
[M+Na]+ 288.04182 161.3
[M-H]- 264.04532 149.1
[M+NH4]+ 283.08642 167.6
[M+K]+ 304.01576 156.9
[M+H-H2O]+ 248.04986 139.2
[M+HCOO]- 310.05080 171.1
[M+CH3COO]- 324.06645 203.6
[M+Na-2H]- 286.02727 151.0
[M]+ 265.05205 147.1
[M]- 265.05315 147.1
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.