CID 9587951

(4-chloroanilino)acetamidoxime dihydrochloride

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
C1=CC(=CC=C1NC/C(=N\O)/N)Cl
InChI
InChI=1S/C8H10ClN3O/c9-6-1-3-7(4-2-6)11-5-8(10)12-13/h1-4,11,13H,5H2,(H2,10,12)
InChIKey
WSKCEPCWNLAMOQ-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 141.1
[M+Na]+ 222.04046 148.1
[M-H]- 198.04396 144.3
[M+NH4]+ 217.08506 160.0
[M+K]+ 238.01440 144.3
[M+H-H2O]+ 182.04850 135.5
[M+HCOO]- 244.04944 163.3
[M+CH3COO]- 258.06509 188.9
[M+Na-2H]- 220.02591 147.0
[M]+ 199.05069 139.8
[M]- 199.05179 139.8
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.