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

6
Patents

233.01227 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01955 148.4
[M+Na]+ 256.00149 156.6
[M-H]- 232.00499 151.2
[M+NH4]+ 251.04609 166.6
[M+K]+ 271.97543 151.4
[M+H-H2O]+ 216.00953 143.9
[M+HCOO]- 278.01047 165.4
[M+CH3COO]- 292.02612 194.6
[M+Na-2H]- 253.98694 152.6
[M]+ 233.01172 148.6
[M]- 233.01282 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.