CID 9554010

2-(bis(2-chloroethyl)hydrazono)propionic acid

Structural Information

Molecular Formula
C7H12Cl2N2O2
SMILES
C/C(=N\N(CCCl)CCCl)/C(=O)O
InChI
InChI=1S/C7H12Cl2N2O2/c1-6(7(12)13)10-11(4-2-8)5-3-9/h2-5H2,1H3,(H,12,13)/b10-6+
InChIKey
LEZRHLKUSJBPSS-UXBLZVDNSA-N
Compound name
(2E)-2-[bis(2-chloroethyl)hydrazinylidene]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02759 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03487 146.1
[M+Na]+ 249.01681 154.8
[M+NH4]+ 244.06141 152.8
[M+K]+ 264.99075 149.9
[M-H]- 225.02031 145.3
[M+Na-2H]- 247.00226 148.8
[M]+ 226.02704 147.2
[M]- 226.02814 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.