CID 5480615

1-(4-fluorophenyl)-2-imidazol-1-yl-ethanone oxime

Structural Information

Molecular Formula
C11H10FN3O
SMILES
C1=CC(=CC=C1/C(=N/O)/CN2C=CN=C2)F
InChI
InChI=1S/C11H10FN3O/c12-10-3-1-9(2-4-10)11(14-16)7-15-6-5-13-8-15/h1-6,8,16H,7H2/b14-11+
InChIKey
IQCXGSLWZGCFIY-SDNWHVSQSA-N
Compound name
(NZ)-N-[1-(4-fluorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.0808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08808 145.0
[M+Na]+ 242.07002 153.0
[M-H]- 218.07352 148.1
[M+NH4]+ 237.11462 162.0
[M+K]+ 258.04396 149.6
[M+H-H2O]+ 202.07806 135.5
[M+HCOO]- 264.07900 168.0
[M+CH3COO]- 278.09465 188.3
[M+Na-2H]- 240.05547 150.2
[M]+ 219.08025 143.5
[M]- 219.08135 143.5
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

No patent data available for this compound.