CID 16499

2139-00-6

Structural Information

Molecular Formula
C8H7ClN2O2
SMILES
COC1=C(C=C2C(=C1)OC(=N2)N)Cl
InChI
InChI=1S/C8H7ClN2O2/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11)
InChIKey
GOYJQKVVEOIVCJ-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxy-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02688 135.3
[M+Na]+ 221.00882 149.9
[M+NH4]+ 216.05342 144.2
[M+K]+ 236.98276 145.6
[M-H]- 197.01232 138.9
[M+Na-2H]- 218.99427 141.6
[M]+ 198.01905 138.7
[M]- 198.02015 138.7
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

No patent data available for this compound.