CID 15422982

6-(chloromethyl)-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1=CC2=C(C=C1CCl)OC(=O)N2
InChI
InChI=1S/C8H6ClNO2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKey
MYHPYPWWFFXQDY-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

183.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.015986 131.1
[M+Na]+ 205.997928 143.9
[M-H]- 182.001434 134.7
[M+NH4]+ 201.042533 152.0
[M+K]+ 221.971868 140.0
[M+H-H2O]+ 166.005970 126.4
[M+HCOO]- 228.006911 150.3
[M+CH3COO]- 242.022561 146.2
[M+Na-2H]- 203.983376 139.8
[M]+ 183.00816142 135.8
[M]- 183.00925858 135.8
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