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]+ 265.045516 152.8
[M+Na]+ 287.027458 159.6
[M-H]- 263.030964 158.3
[M+NH4]+ 282.072063 166.3
[M+K]+ 303.001398 155.0
[M+H-H2O]+ 247.035500 149.8
[M+HCOO]- 309.036441 176.2
[M+CH3COO]- 323.052091 184.9
[M+Na-2H]- 285.012906 159.7
[M]+ 264.03769142 154.4
[M]- 264.03878858 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.