CID 29971363

7-amino-5-chloro-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C7H5ClN2O2
SMILES
C1=C(C=C2C(=C1N)OC(=O)N2)Cl
InChI
InChI=1S/C7H5ClN2O2/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,9H2,(H,10,11)
InChIKey
KFRHLRRYYDOKGV-UHFFFAOYSA-N
Compound name
7-amino-5-chloro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

184.00395 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.011226 131.8
[M+Na]+ 206.993168 145.1
[M-H]- 182.996674 135.4
[M+NH4]+ 202.037773 152.4
[M+K]+ 222.967108 140.9
[M+H-H2O]+ 167.001210 127.2
[M+HCOO]- 229.002151 151.8
[M+CH3COO]- 243.017801 146.8
[M+Na-2H]- 204.978616 139.7
[M]+ 184.00340142 134.9
[M]- 184.00449858 134.9
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