CID 3078872

Brn 5967292

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)OC1=O
InChI
InChI=1S/C15H10ClNO3/c1-17-12-7-4-10(8-13(12)20-15(17)19)14(18)9-2-5-11(16)6-3-9/h2-8H,1H3
InChIKey
CFTKMMJMJRFCBZ-UHFFFAOYSA-N
Compound name
6-(4-chlorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.0349 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04218 159.0
[M+Na]+ 310.02412 176.5
[M+NH4]+ 305.06872 167.5
[M+K]+ 325.99806 170.7
[M-H]- 286.02762 164.2
[M+Na-2H]- 308.00957 167.2
[M]+ 287.03435 163.5
[M]- 287.03545 163.5
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