CID 6399256

Paraclox

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1=CC(=CC=C1C(=O)/C(=N\O)/Cl)O
InChI
InChI=1S/C8H6ClNO3/c9-8(10-13)7(12)5-1-3-6(11)4-2-5/h1-4,11,13H/b10-8+
InChIKey
YHOOPWNLHRKWEM-CSKARUKUSA-N
Compound name
(1E)-N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

320
Patents

199.00362 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 136.6
[M+Na]+ 221.99284 144.9
[M-H]- 197.99634 139.4
[M+NH4]+ 217.03744 155.7
[M+K]+ 237.96678 141.6
[M+H-H2O]+ 182.00088 132.1
[M+HCOO]- 244.00182 155.7
[M+CH3COO]- 258.01747 181.0
[M+Na-2H]- 219.97829 141.6
[M]+ 199.00307 137.6
[M]- 199.00417 137.6
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.