CID 23361832

16880-29-8

Structural Information

Molecular Formula
C5H4ClNO3
SMILES
CC1=C(C(=NO1)Cl)C(=O)O
InChI
InChI=1S/C5H4ClNO3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H,8,9)
InChIKey
KCWZIRCPVAERRV-UHFFFAOYSA-N
Compound name
3-chloro-5-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

160.98798 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.99526 125.9
[M+Na]+ 183.97720 137.0
[M-H]- 159.98070 128.4
[M+NH4]+ 179.02180 146.4
[M+K]+ 199.95114 135.6
[M+H-H2O]+ 143.98524 121.6
[M+HCOO]- 205.98618 144.0
[M+CH3COO]- 220.00183 171.5
[M+Na-2H]- 181.96265 131.3
[M]+ 160.98743 129.8
[M]- 160.98853 129.8
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