CID 46386

64037-13-4

Structural Information

Molecular Formula
C7H5IN2O
SMILES
C1=CC2=C(C=C1I)N=C(O2)N
InChI
InChI=1S/C7H5IN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKey
VLQYRAJKFGZRNV-UHFFFAOYSA-N
Compound name
5-iodo-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

259.94467 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.951946 135.1
[M+Na]+ 282.933888 139.4
[M-H]- 258.937394 132.6
[M+NH4]+ 277.978493 151.4
[M+K]+ 298.907828 143.5
[M+H-H2O]+ 242.941930 125.6
[M+HCOO]- 304.942871 155.4
[M+CH3COO]- 318.958521 146.0
[M+Na-2H]- 280.919336 132.1
[M]+ 259.94412142 134.3
[M]- 259.94521858 134.3
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