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

1
Patents

199.05124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.058516 141.1
[M+Na]+ 222.040458 148.1
[M-H]- 198.043964 144.3
[M+NH4]+ 217.085063 160.0
[M+K]+ 238.014398 144.3
[M+H-H2O]+ 182.048500 135.5
[M+HCOO]- 244.049441 163.3
[M+CH3COO]- 258.065091 188.9
[M+Na-2H]- 220.025906 147.0
[M]+ 199.05069142 139.8
[M]- 199.05178858 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.