CID 12218955

Ethyl (2z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]acetate

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
CCOC(=O)/C(=N/NC1=CC=C(C=C1)OC)/Cl
InChI
InChI=1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3/b14-10-
InChIKey
ATNPZEGMKLGIFA-UVTDQMKNSA-N
Compound name
ethyl (2Z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

256.06146 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06874 154.9
[M+Na]+ 279.05068 161.9
[M-H]- 255.05418 159.8
[M+NH4]+ 274.09528 172.7
[M+K]+ 295.02462 159.7
[M+H-H2O]+ 239.05872 148.6
[M+HCOO]- 301.05966 177.0
[M+CH3COO]- 315.07531 199.4
[M+Na-2H]- 277.03613 159.5
[M]+ 256.06091 159.9
[M]- 256.06201 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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