CID 45054409

763108-96-9

Structural Information

Molecular Formula
C11H8N2O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=NO2)OCC(=O)O
InChI
InChI=1S/C11H8N2O6/c14-11(15)6-18-9-2-1-7(13(16)17)5-8(9)10-3-4-12-19-10/h1-5H,6H2,(H,14,15)
InChIKey
SLDQASAMTFSQEE-UHFFFAOYSA-N
Compound name
2-[4-nitro-2-(1,2-oxazol-5-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04552 152.8
[M+Na]+ 287.02746 159.6
[M-H]- 263.03096 158.3
[M+NH4]+ 282.07206 166.3
[M+K]+ 303.00140 155.0
[M+H-H2O]+ 247.03550 149.8
[M+HCOO]- 309.03644 176.2
[M+CH3COO]- 323.05209 184.9
[M+Na-2H]- 285.01291 159.7
[M]+ 264.03769 154.4
[M]- 264.03879 154.4
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.