CID 135541160

Ethyl gamma-chloro-alpha-oximinoacetoacetate

Structural Information

Molecular Formula
C6H8ClNO4
SMILES
CCOC(=O)/C(=C(/CCl)\O)/N=O
InChI
InChI=1S/C6H8ClNO4/c1-2-12-6(10)5(8-11)4(9)3-7/h9H,2-3H2,1H3/b5-4+
InChIKey
CBVFCYWSRGHDSR-SNAWJCMRSA-N
Compound name
ethyl (E)-4-chloro-3-hydroxy-2-nitrosobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

193.01419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02147 135.9
[M+Na]+ 216.00341 143.3
[M-H]- 192.00691 136.5
[M+NH4]+ 211.04801 155.8
[M+K]+ 231.97735 142.3
[M+H-H2O]+ 176.01145 132.0
[M+HCOO]- 238.01239 155.0
[M+CH3COO]- 252.02804 182.4
[M+Na-2H]- 213.98886 139.3
[M]+ 193.01364 139.9
[M]- 193.01474 139.9
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