CID 5872653

Schembl7813642

Structural Information

Molecular Formula
C11H8Cl2N2O3
SMILES
C1=CC=C(C(=C1)C(=O)N)N=C/C(=C(/C(=O)O)\Cl)/Cl
InChI
InChI=1S/C11H8Cl2N2O3/c12-7(9(13)11(17)18)5-15-8-4-2-1-3-6(8)10(14)16/h1-5H,(H2,14,16)(H,17,18)/b9-7+,15-5?
InChIKey
DUSNSDALCYJUAZ-OXGWMIHXSA-N
Compound name
(E)-4-(2-carbamoylphenyl)imino-2,3-dichlorobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.9912 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99848 158.6
[M+Na]+ 308.98042 165.7
[M-H]- 284.98392 161.4
[M+NH4]+ 304.02502 174.5
[M+K]+ 324.95436 160.7
[M+H-H2O]+ 268.98846 154.3
[M+HCOO]- 330.98940 172.2
[M+CH3COO]- 345.00505 201.0
[M+Na-2H]- 306.96587 158.7
[M]+ 285.99065 159.5
[M]- 285.99175 159.5
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

patents stripe