CID 676874

3994-25-0

Structural Information

Molecular Formula
C11H10BrN3O2
SMILES
CCOC(=O)C(=NNC1=CC=C(C=C1)Br)C#N
InChI
InChI=1S/C11H10BrN3O2/c1-2-17-11(16)10(7-13)15-14-9-5-3-8(12)4-6-9/h3-6,14H,2H2,1H3
InChIKey
MIIDWYHCQGZJDD-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-bromophenyl)hydrazinylidene]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.99564 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00292 156.1
[M+Na]+ 317.98486 166.8
[M-H]- 293.98836 160.9
[M+NH4]+ 313.02946 172.5
[M+K]+ 333.95880 155.9
[M+H-H2O]+ 277.99290 146.9
[M+HCOO]- 339.99384 177.6
[M+CH3COO]- 354.00949 213.5
[M+Na-2H]- 315.97031 161.1
[M]+ 294.99509 168.4
[M]- 294.99619 168.4
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.