CID 12290019

Methyl (2z)-2-chloro-2-(2-phenylhydrazin-1-ylidene)acetate

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
COC(=O)/C(=N/NC1=CC=CC=C1)/Cl
InChI
InChI=1S/C9H9ClN2O2/c1-14-9(13)8(10)12-11-7-5-3-2-4-6-7/h2-6,11H,1H3/b12-8-
InChIKey
XHGKYBPODWOQIT-WQLSENKSSA-N
Compound name
methyl (2Z)-2-chloro-2-(phenylhydrazinylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

212.03525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 143.4
[M+Na]+ 235.02447 150.4
[M-H]- 211.02797 148.2
[M+NH4]+ 230.06907 162.7
[M+K]+ 250.99841 148.0
[M+H-H2O]+ 195.03251 137.5
[M+HCOO]- 257.03345 165.8
[M+CH3COO]- 271.04910 190.1
[M+Na-2H]- 233.00992 149.6
[M]+ 212.03470 145.8
[M]- 212.03580 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe