CID 9603551

Propionaldehyde o-pentafluorophenylmethyl-oxime

Structural Information

Molecular Formula
C10H8F5NO
SMILES
CC/C=N/OCC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C10H8F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h3H,2,4H2,1H3/b16-3+
InChIKey
BOPZGAUHLLBMFA-HQYXKAPLSA-N
Compound name
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05261 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05989 146.3
[M+Na]+ 276.04183 158.0
[M-H]- 252.04533 145.9
[M+NH4]+ 271.08643 164.7
[M+K]+ 292.01577 154.5
[M+H-H2O]+ 236.04987 136.0
[M+HCOO]- 298.05081 167.9
[M+CH3COO]- 312.06646 202.1
[M+Na-2H]- 274.02728 148.2
[M]+ 253.05206 144.2
[M]- 253.05316 144.2
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.