CID 101860646

5-chloro-3-iodo-6-methyl-2h-1,4-oxazin-2-one

Structural Information

Molecular Formula
C5H3ClINO2
SMILES
CC1=C(N=C(C(=O)O1)I)Cl
InChI
InChI=1S/C5H3ClINO2/c1-2-3(6)8-4(7)5(9)10-2/h1H3
InChIKey
AUCHBXPETVLEKQ-UHFFFAOYSA-N
Compound name
5-chloro-3-iodo-6-methyl-1,4-oxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

270.8897 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.89698 130.8
[M+Na]+ 293.87892 136.2
[M-H]- 269.88242 127.9
[M+NH4]+ 288.92352 145.6
[M+K]+ 309.85286 140.2
[M+H-H2O]+ 253.88696 122.4
[M+HCOO]- 315.88790 145.4
[M+CH3COO]- 329.90355 184.1
[M+Na-2H]- 291.86437 127.2
[M]+ 270.88915 132.9
[M]- 270.89025 132.9
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

patents stripe