CID 32754

2-benzoxazolinone, 3-allyl-5-chloro-

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C=CCN1C2=C(C=CC(=C2)Cl)OC1=O
InChI
InChI=1S/C10H8ClNO2/c1-2-5-12-8-6-7(11)3-4-9(8)14-10(12)13/h2-4,6H,1,5H2
InChIKey
QRRNAEXZIDFDBE-UHFFFAOYSA-N
Compound name
5-chloro-3-prop-2-enyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02435 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 139.1
[M+Na]+ 232.013568 152.7
[M-H]- 208.017074 144.1
[M+NH4]+ 227.058173 159.9
[M+K]+ 247.987508 148.5
[M+H-H2O]+ 192.021610 134.0
[M+HCOO]- 254.022551 159.3
[M+CH3COO]- 268.038201 183.8
[M+Na-2H]- 229.999016 146.5
[M]+ 209.02380142 146.1
[M]- 209.02489858 146.1
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.