CID 9587949

Crl 40375

Structural Information

Molecular Formula
C8H9Cl2N3O
SMILES
C1=CC(=C(C=C1NC/C(=N\O)/N)Cl)Cl
InChI
InChI=1S/C8H9Cl2N3O/c9-6-2-1-5(3-7(6)10)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13)
InChIKey
DCWCTDKIOSOPPS-UHFFFAOYSA-N
Compound name
2-(3,4-dichloroanilino)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.01227 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.019546 148.4
[M+Na]+ 256.001488 156.6
[M-H]- 232.004994 151.2
[M+NH4]+ 251.046093 166.6
[M+K]+ 271.975428 151.4
[M+H-H2O]+ 216.009530 143.9
[M+HCOO]- 278.010471 165.4
[M+CH3COO]- 292.026121 194.6
[M+Na-2H]- 253.986936 152.6
[M]+ 233.01172142 148.6
[M]- 233.01281858 148.6
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.