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

10
Patents

183.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 131.1
[M+Na]+ 205.99793 143.9
[M-H]- 182.00143 134.7
[M+NH4]+ 201.04253 152.0
[M+K]+ 221.97187 140.0
[M+H-H2O]+ 166.00597 126.4
[M+HCOO]- 228.00691 150.3
[M+CH3COO]- 242.02256 146.2
[M+Na-2H]- 203.98338 139.8
[M]+ 183.00816 135.8
[M]- 183.00926 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