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 147.6
[M+Na]+ 249.01681 154.1
[M-H]- 225.02031 148.6
[M+NH4]+ 244.06141 166.9
[M+K]+ 264.99075 151.6
[M+H-H2O]+ 209.02485 143.8
[M+HCOO]- 271.02579 163.0
[M+CH3COO]- 285.04144 194.9
[M+Na-2H]- 247.00226 150.1
[M]+ 226.02704 151.8
[M]- 226.02814 151.8
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.