CID 6399471

861135-87-7

Structural Information

Molecular Formula
C4H6ClNO3
SMILES
CCOC(=O)/C(=N\O)/Cl
InChI
InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3/b6-3+
InChIKey
UXOLDCOJRAMLTQ-ZZXKWVIFSA-N
Compound name
ethyl (2E)-2-chloro-2-hydroxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1937
Patents

151.00362 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01090 125.8
[M+Na]+ 173.99284 134.0
[M-H]- 149.99634 126.5
[M+NH4]+ 169.03744 147.5
[M+K]+ 189.96678 133.1
[M+H-H2O]+ 134.00088 122.2
[M+HCOO]- 196.00182 146.0
[M+CH3COO]- 210.01747 174.3
[M+Na-2H]- 171.97829 131.3
[M]+ 151.00307 128.8
[M]- 151.00417 128.8
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