CID 9578540

N-(acetyloxy)ethanimidoyl chloride

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]+ 136.01599 122.6
[M+Na]+ 157.99793 131.3
[M-H]- 134.00143 124.8
[M+NH4]+ 153.04253 145.8
[M+K]+ 173.97187 130.9
[M+H-H2O]+ 118.00597 119.0
[M+HCOO]- 180.00691 144.1
[M+CH3COO]- 194.02256 174.9
[M+Na-2H]- 155.98338 128.7
[M]+ 135.00816 126.1
[M]- 135.00926 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.