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 160.3
[M+Na]+ 310.02412 173.5
[M-H]- 286.02762 168.8
[M+NH4]+ 305.06872 177.5
[M+K]+ 325.99806 168.9
[M+H-H2O]+ 270.03216 153.6
[M+HCOO]- 332.03310 179.4
[M+CH3COO]- 346.04875 174.4
[M+Na-2H]- 308.00957 165.2
[M]+ 287.03435 167.9
[M]- 287.03545 167.9
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