CID 6537383

1-chloro-2-propanone oxime

Structural Information

Molecular Formula
C3H6ClNO
SMILES
C/C(=N/O)/CCl
InChI
InChI=1S/C3H6ClNO/c1-3(2-4)5-6/h6H,2H2,1H3/b5-3-
InChIKey
ADYDCWWHQBOFHC-HYXAFXHYSA-N
Compound name
(NZ)-N-(1-chloropropan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

107.013794 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 117.2
[M+Na]+ 130.00301 125.7
[M-H]- 106.00652 117.9
[M+NH4]+ 125.04762 140.8
[M+K]+ 145.97695 124.3
[M+H-H2O]+ 90.011054 114.0
[M+HCOO]- 152.01200 137.9
[M+CH3COO]- 166.02764 168.0
[M+Na-2H]- 127.98846 124.4
[M]+ 107.01325 118.3
[M]- 107.01434 118.3
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