CID 602486

Formaldehyde o-pentafluorophenylmethyl-oxime

Structural Information

Molecular Formula
C8H4F5NO
SMILES
C=NOCC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C8H4F5NO/c1-14-15-2-3-4(9)6(11)8(13)7(12)5(3)10/h1-2H2
InChIKey
SRTQFRQWTUMMTC-UHFFFAOYSA-N
Compound name
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.0213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02858 136.5
[M+Na]+ 248.01052 149.0
[M-H]- 224.01402 136.4
[M+NH4]+ 243.05512 156.0
[M+K]+ 263.98446 145.9
[M+H-H2O]+ 208.01856 126.6
[M+HCOO]- 270.01950 158.8
[M+CH3COO]- 284.03515 196.8
[M+Na-2H]- 245.99597 139.5
[M]+ 225.02075 133.7
[M]- 225.02185 133.7
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.