CID 136272514

2,3-butanedione,1-chloro-, 2,3-dioxime

Structural Information

Molecular Formula
C4H7ClN2O2
SMILES
CC(=NO)C(=NO)CCl
InChI
InChI=1S/C4H7ClN2O2/c1-3(6-8)4(2-5)7-9/h8-9H,2H2,1H3
InChIKey
ZBMQRQACJNHGNB-UHFFFAOYSA-N
Compound name
N-(1-chloro-3-hydroxyiminobutan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.0196 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.026876 128.3
[M+Na]+ 173.008818 135.6
[M-H]- 149.012324 128.9
[M+NH4]+ 168.053423 149.7
[M+K]+ 188.982758 134.2
[M+H-H2O]+ 133.016860 124.4
[M+HCOO]- 195.017801 149.2
[M+CH3COO]- 209.033451 177.2
[M+Na-2H]- 170.994266 133.8
[M]+ 150.01905142 129.0
[M]- 150.02014858 129.0
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.