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

literature stripe

Patent stripe

patents stripe