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 140.7
[M+Na]+ 268.90878 157.0
[M-H]- 244.91228 147.9
[M+NH4]+ 263.95338 163.0
[M+K]+ 284.88272 145.0
[M+H-H2O]+ 228.91682 141.3
[M+HCOO]- 290.91776 159.3
[M+CH3COO]- 304.93341 157.3
[M+Na-2H]- 266.89423 149.7
[M]+ 245.91901 163.1
[M]- 245.92011 163.1
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.