CID 83669472

5-bromo-3-cyclopropyl-1,2-benzoxazole

Structural Information

Molecular Formula
C10H8BrNO
SMILES
C1CC1C2=NOC3=C2C=C(C=C3)Br
InChI
InChI=1S/C10H8BrNO/c11-7-3-4-9-8(5-7)10(12-13-9)6-1-2-6/h3-6H,1-2H2
InChIKey
FAXGHMYEVMYYGP-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.97893 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.986206 145.1
[M+Na]+ 259.968148 161.3
[M-H]- 235.971654 156.0
[M+NH4]+ 255.012753 162.7
[M+K]+ 275.942088 150.7
[M+H-H2O]+ 219.976190 144.9
[M+HCOO]- 281.977131 167.2
[M+CH3COO]- 295.992781 161.3
[M+Na-2H]- 257.953596 154.2
[M]+ 236.97838142 168.0
[M]- 236.97947858 168.0
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