CID 2962193

712347-12-1

Structural Information

Molecular Formula
C10H7ClFNO3
SMILES
C1C(ON=C1C2=C(C=CC=C2Cl)F)C(=O)O
InChI
InChI=1S/C10H7ClFNO3/c11-5-2-1-3-6(12)9(5)7-4-8(10(14)15)16-13-7/h1-3,8H,4H2,(H,14,15)
InChIKey
KIWWDOKNJZYHSY-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.00984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01712 146.4
[M+Na]+ 265.99906 156.7
[M-H]- 242.00256 150.6
[M+NH4]+ 261.04366 163.4
[M+K]+ 281.97300 153.3
[M+H-H2O]+ 226.00710 139.8
[M+HCOO]- 288.00804 161.9
[M+CH3COO]- 302.02369 186.4
[M+Na-2H]- 263.98451 149.1
[M]+ 243.00929 147.9
[M]- 243.01039 147.9
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

No patent data available for this compound.