CID 146108134

2112819-70-0

Structural Information

Molecular Formula
C11H7ClFNO3
SMILES
COC(=O)C1=NOC(=C1)C2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C11H7ClFNO3/c1-16-11(15)9-5-10(17-14-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3
InChIKey
ZXJUYLDBIJXFFW-UHFFFAOYSA-N
Compound name
methyl 5-(4-chloro-2-fluorophenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.00984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01712 149.3
[M+Na]+ 277.99906 160.7
[M-H]- 254.00256 155.1
[M+NH4]+ 273.04366 166.6
[M+K]+ 293.97300 157.8
[M+H-H2O]+ 238.00710 142.2
[M+HCOO]- 300.00804 167.4
[M+CH3COO]- 314.02369 190.9
[M+Na-2H]- 275.98451 152.9
[M]+ 255.00929 154.3
[M]- 255.01039 154.3
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.