CID 18452150

581102-27-4

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC2=C(C=C1C=O)NC(=O)O2
InChI
InChI=1S/C8H5NO3/c10-4-5-1-2-7-6(3-5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey
DYFWPMHZVHAXTO-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-benzoxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

163.02695 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 125.8
[M+Na]+ 186.01617 138.1
[M-H]- 162.01967 129.7
[M+NH4]+ 181.06077 146.5
[M+K]+ 201.99011 135.9
[M+H-H2O]+ 146.02421 120.5
[M+HCOO]- 208.02515 150.2
[M+CH3COO]- 222.04080 172.3
[M+Na-2H]- 184.00162 135.2
[M]+ 163.02640 129.4
[M]- 163.02750 129.4
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

patents stripe