CID 32753

24963-29-9

Structural Information

Molecular Formula
C9H6ClNO3
SMILES
CC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O
InChI
InChI=1S/C9H6ClNO3/c1-5(12)11-7-4-6(10)2-3-8(7)14-9(11)13/h2-4H,1H3
InChIKey
LOYFUELOTCGIOH-UHFFFAOYSA-N
Compound name
3-acetyl-5-chloro-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.00362 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01090 137.1
[M+Na]+ 233.99284 150.8
[M-H]- 209.99634 142.6
[M+NH4]+ 229.03744 157.8
[M+K]+ 249.96678 148.0
[M+H-H2O]+ 194.00088 132.4
[M+HCOO]- 256.00182 157.0
[M+CH3COO]- 270.01747 183.1
[M+Na-2H]- 231.97829 144.0
[M]+ 211.00307 144.6
[M]- 211.00417 144.6
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.