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

1
Patents

172.98798 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99526 130.5
[M+Na]+ 195.97720 140.6
[M-H]- 171.98070 132.5
[M+NH4]+ 191.02180 150.1
[M+K]+ 211.95114 138.3
[M+H-H2O]+ 155.98524 125.7
[M+HCOO]- 217.98618 148.4
[M+CH3COO]- 232.00183 171.8
[M+Na-2H]- 193.96265 135.9
[M]+ 172.98743 133.5
[M]- 172.98853 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