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

64
Patents

160.02728 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03456 130.1
[M+Na]+ 183.01650 143.9
[M-H]- 159.02000 132.7
[M+NH4]+ 178.06110 148.6
[M+K]+ 198.99044 139.8
[M+H-H2O]+ 143.02454 117.6
[M+HCOO]- 205.02548 150.1
[M+CH3COO]- 219.04113 143.5
[M+Na-2H]- 181.00195 138.3
[M]+ 160.02673 127.3
[M]- 160.02783 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