CID 9578540

Ethanimidoyl chloride, n-(acetyloxy)-

Structural Information

Molecular Formula
C4H6ClNO2
SMILES
C/C(=N/OC(=O)C)/Cl
InChI
InChI=1S/C4H6ClNO2/c1-3(5)6-8-4(2)7/h1-2H3/b6-3-
InChIKey
UPCFJADMODXASY-UTCJRWHESA-N
Compound name
[(Z)-1-chloroethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.00871 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.015986 122.6
[M+Na]+ 157.997928 131.3
[M-H]- 134.001434 124.8
[M+NH4]+ 153.042533 145.8
[M+K]+ 173.971868 130.9
[M+H-H2O]+ 118.005970 119.0
[M+HCOO]- 180.006911 144.1
[M+CH3COO]- 194.022561 174.9
[M+Na-2H]- 155.983376 128.7
[M]+ 135.00816142 126.1
[M]- 135.00925858 126.1
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.