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

22
Patents

259.94467 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.95195 135.1
[M+Na]+ 282.93389 139.4
[M-H]- 258.93739 132.6
[M+NH4]+ 277.97849 151.4
[M+K]+ 298.90783 143.5
[M+H-H2O]+ 242.94193 125.6
[M+HCOO]- 304.94287 155.4
[M+CH3COO]- 318.95852 146.0
[M+Na-2H]- 280.91934 132.1
[M]+ 259.94412 134.3
[M]- 259.94522 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