CID 5462557

1-(4-chlorophenyl)ethanone oxime

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C/C(=N/O)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H8ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-5,11H,1H3/b10-6-
InChIKey
KAXTWDXRCMICEQ-POHAHGRESA-N
Compound name
(NZ)-N-[1-(4-chlorophenyl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

169.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 131.9
[M+Na]+ 192.018648 140.7
[M-H]- 168.022154 135.9
[M+NH4]+ 187.063253 153.2
[M+K]+ 207.992588 137.3
[M+H-H2O]+ 152.026690 127.3
[M+HCOO]- 214.027631 152.7
[M+CH3COO]- 228.043281 179.4
[M+Na-2H]- 190.004096 138.5
[M]+ 169.02888142 133.1
[M]- 169.02997858 133.1
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

patents stripe