CID 15635

1750-46-5

Structural Information

Molecular Formula
C7H5ClN2O2
SMILES
C1=C2C(=CC(=C1Cl)O)OC(=N2)N
InChI
InChI=1S/C7H5ClN2O2/c8-3-1-4-6(2-5(3)11)12-7(9)10-4/h1-2,11H,(H2,9,10)
InChIKey
DICNWOXTWUJPIQ-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-1,3-benzoxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.00395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01123 132.2
[M+Na]+ 206.99317 145.2
[M-H]- 182.99667 135.7
[M+NH4]+ 202.03777 152.8
[M+K]+ 222.96711 141.6
[M+H-H2O]+ 167.00121 127.5
[M+HCOO]- 229.00215 152.0
[M+CH3COO]- 243.01780 147.2
[M+Na-2H]- 204.97862 140.1
[M]+ 184.00340 136.0
[M]- 184.00450 136.0
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