CID 10176255

98556-62-8

Structural Information

Molecular Formula
C8H4N2O2
SMILES
C1=CC2=C(C=C1C#N)OC(=O)N2
InChI
InChI=1S/C8H4N2O2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,(H,10,11)
InChIKey
QHRWXMSWKMRKEK-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-benzoxazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

160.02728 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.034556 130.1
[M+Na]+ 183.016498 143.9
[M-H]- 159.020004 132.7
[M+NH4]+ 178.061103 148.6
[M+K]+ 198.990438 139.8
[M+H-H2O]+ 143.024540 117.6
[M+HCOO]- 205.025481 150.1
[M+CH3COO]- 219.041131 143.5
[M+Na-2H]- 181.001946 138.3
[M]+ 160.02673142 127.3
[M]- 160.02782858 127.3
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

patents stripe