CID 10855978

(2e)-3-(3-chloro-1,2-oxazol-5-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=C(ON=C1Cl)/C=C/C(=O)O
InChI
InChI=1S/C6H4ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h1-3H,(H,9,10)/b2-1+
InChIKey
SIEZRBMEOIIOCO-OWOJBTEDSA-N
Compound name
(E)-3-(3-chloro-1,2-oxazol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.98798 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.995256 130.5
[M+Na]+ 195.977198 140.6
[M-H]- 171.980704 132.5
[M+NH4]+ 191.021803 150.1
[M+K]+ 211.951138 138.3
[M+H-H2O]+ 155.985240 125.7
[M+HCOO]- 217.986181 148.4
[M+CH3COO]- 232.001831 171.8
[M+Na-2H]- 193.962646 135.9
[M]+ 172.98743142 133.5
[M]- 172.98852858 133.5
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