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]+ 185.01123 131.8
[M+Na]+ 206.99317 145.1
[M-H]- 182.99667 135.4
[M+NH4]+ 202.03777 152.4
[M+K]+ 222.96711 140.9
[M+H-H2O]+ 167.00121 127.2
[M+HCOO]- 229.00215 151.8
[M+CH3COO]- 243.01780 146.8
[M+Na-2H]- 204.97862 139.7
[M]+ 184.00340 134.9
[M]- 184.00450 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