CID 154699952

Ns00117670

Structural Information

Molecular Formula
C9H9Cl2N3O3
SMILES
C1=C(C(=C(C(=C1O)Cl)CC(=O)N=C(N)N)Cl)O
InChI
InChI=1S/C9H9Cl2N3O3/c10-7-3(1-6(17)14-9(12)13)8(11)5(16)2-4(7)15/h2,15-16H,1H2,(H4,12,13,14,17)
InChIKey
SHBGZECCBYCTEJ-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-2-(2,6-dichloro-3,5-dihydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00938 157.5
[M+Na]+ 299.99132 166.7
[M-H]- 275.99482 159.4
[M+NH4]+ 295.03592 173.5
[M+K]+ 315.96526 161.5
[M+H-H2O]+ 259.99936 153.8
[M+HCOO]- 322.00030 172.0
[M+CH3COO]- 336.01595 201.3
[M+Na-2H]- 297.97677 157.4
[M]+ 277.00155 157.7
[M]- 277.00265 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.