CID 44182043

706789-07-3

Structural Information

Molecular Formula
C4H2ClNO3
SMILES
C1=C(N=C(O1)Cl)C(=O)O
InChI
InChI=1S/C4H2ClNO3/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
InChIKey
AFZJELJKFJSQGN-UHFFFAOYSA-N
Compound name
2-chloro-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

146.97232 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.97960 121.7
[M+Na]+ 169.96154 132.2
[M-H]- 145.96504 123.9
[M+NH4]+ 165.00614 142.3
[M+K]+ 185.93548 131.1
[M+H-H2O]+ 129.96958 117.2
[M+HCOO]- 191.97052 140.1
[M+CH3COO]- 205.98617 167.3
[M+Na-2H]- 167.94699 128.2
[M]+ 146.97177 124.8
[M]- 146.97287 124.8
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