CID 46404

64037-30-5

Structural Information

Molecular Formula
C7H5ClN2O2
SMILES
C1=C(C(=CC2=C1OC(=O)N2)Cl)N
InChI
InChI=1S/C7H5ClN2O2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,9H2,(H,10,11)
InChIKey
XGYICSXQOIEICF-UHFFFAOYSA-N
Compound name
6-amino-5-chloro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
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

literature stripe

Patent stripe

patents stripe