CID 9603564

Valeraldehyde-o-pentafluorophenylmethyl-oxime

Structural Information

Molecular Formula
C12H12F5NO
SMILES
CCCC/C=N/OCC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C12H12F5NO/c1-2-3-4-5-18-19-6-7-8(13)10(15)12(17)11(16)9(7)14/h5H,2-4,6H2,1H3/b18-5+
InChIKey
CQVUQQBKUBLHIZ-BLLMUTORSA-N
Compound name
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]pentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.0839 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09118 155.9
[M+Na]+ 304.07312 166.7
[M-H]- 280.07662 155.0
[M+NH4]+ 299.11772 173.2
[M+K]+ 320.04706 162.7
[M+H-H2O]+ 264.08116 145.1
[M+HCOO]- 326.08210 176.8
[M+CH3COO]- 340.09775 208.1
[M+Na-2H]- 302.05857 156.6
[M]+ 281.08335 154.5
[M]- 281.08445 154.5
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

patents stripe