CID 62369049

7-bromo-5-chloro-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C7H4BrClN2O
SMILES
C1=C(C=C(C2=C1N=C(O2)N)Br)Cl
InChI
InChI=1S/C7H4BrClN2O/c8-4-1-3(9)2-5-6(4)12-7(10)11-5/h1-2H,(H2,10,11)
InChIKey
BOHZBFNIVHFFAC-UHFFFAOYSA-N
Compound name
7-bromo-5-chloro-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.91956 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.92684 143.4
[M+Na]+ 268.90878 148.8
[M+NH4]+ 263.95338 149.0
[M+K]+ 284.88272 149.7
[M-H]- 244.91228 145.5
[M+Na-2H]- 266.89423 146.6
[M]+ 245.91901 143.9
[M]- 245.92011 143.9
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.