CID 32754

24963-36-8

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]+ 210.03163 139.1
[M+Na]+ 232.01357 152.7
[M-H]- 208.01707 144.1
[M+NH4]+ 227.05817 159.9
[M+K]+ 247.98751 148.5
[M+H-H2O]+ 192.02161 134.0
[M+HCOO]- 254.02255 159.3
[M+CH3COO]- 268.03820 183.8
[M+Na-2H]- 229.99902 146.5
[M]+ 209.02380 146.1
[M]- 209.02490 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.