CID 210012

20844-83-1

Structural Information

Molecular Formula
C11H11Cl2NO3
SMILES
COCCCN1C2=CC(=C(C=C2OC1=O)Cl)Cl
InChI
InChI=1S/C11H11Cl2NO3/c1-16-4-2-3-14-9-5-7(12)8(13)6-10(9)17-11(14)15/h5-6H,2-4H2,1H3
InChIKey
VPPSCPRHYMFSKA-UHFFFAOYSA-N
Compound name
5,6-dichloro-3-(3-methoxypropyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0116 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01888 154.4
[M+Na]+ 298.00082 168.1
[M-H]- 274.00432 158.7
[M+NH4]+ 293.04542 173.1
[M+K]+ 313.97476 163.6
[M+H-H2O]+ 258.00886 149.5
[M+HCOO]- 320.00980 168.9
[M+CH3COO]- 334.02545 195.4
[M+Na-2H]- 295.98627 159.6
[M]+ 275.01105 165.0
[M]- 275.01215 165.0
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.