CID 3432869

119162-51-5

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC=C(C(=C1)C2=NOC(=C2)N)Br
InChI
InChI=1S/C9H7BrN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKey
IWZPUSFAARHNRW-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

237.97418 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 143.1
[M+Na]+ 260.963398 155.8
[M-H]- 236.966904 151.9
[M+NH4]+ 256.008003 163.3
[M+K]+ 276.937338 145.5
[M+H-H2O]+ 220.971440 142.2
[M+HCOO]- 282.972381 165.8
[M+CH3COO]- 296.988031 158.9
[M+Na-2H]- 258.948846 150.8
[M]+ 237.97363142 161.5
[M]- 237.97472858 161.5
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