CID 9604803

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

Structural Information

Molecular Formula
C10H9ClN4O
SMILES
C1=CC(=CC=C1/C(=N\O)/CN2N=CC=N2)Cl
InChI
InChI=1S/C10H9ClN4O/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
AJBQAEXIMYHWBD-UVTDQMKNSA-N
Compound name
(NE)-N-[1-(4-chlorophenyl)-2-(triazol-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0465 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05378 148.9
[M+Na]+ 259.03572 157.9
[M-H]- 235.03922 151.8
[M+NH4]+ 254.08032 164.6
[M+K]+ 275.00966 153.3
[M+H-H2O]+ 219.04376 139.8
[M+HCOO]- 281.04470 167.1
[M+CH3COO]- 295.06035 189.2
[M+Na-2H]- 257.02117 154.6
[M]+ 236.04595 150.5
[M]- 236.04705 150.5
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

No patent data available for this compound.