CID 9604804

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

Structural Information

Molecular Formula
C10H9FN4O
SMILES
C1=CC(=CC=C1/C(=N\O)/CN2N=CC=N2)F
InChI
InChI=1S/C10H9FN4O/c11-9-3-1-8(2-4-9)10(14-16)7-15-12-5-6-13-15/h1-6,16H,7H2/b14-10-
InChIKey
KQUUIFLXXDNYCN-UVTDQMKNSA-N
Compound name
(NE)-N-[1-(4-fluorophenyl)-2-(triazol-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07603 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08331 144.6
[M+Na]+ 243.06525 153.0
[M-H]- 219.06875 146.5
[M+NH4]+ 238.10985 160.1
[M+K]+ 259.03919 149.7
[M+H-H2O]+ 203.07329 134.4
[M+HCOO]- 265.07423 166.6
[M+CH3COO]- 279.08988 188.1
[M+Na-2H]- 241.05070 150.3
[M]+ 220.07548 143.3
[M]- 220.07658 143.3
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.