CID 65017984

3-(4-bromophenyl)-5-isoxazoleethanol

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
C1=CC(=CC=C1C2=NOC(=C2)CCO)Br
InChI
InChI=1S/C11H10BrNO2/c12-9-3-1-8(2-4-9)11-7-10(5-6-14)15-13-11/h1-4,7,14H,5-6H2
InChIKey
OKOLFLYTFJDVEJ-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenyl)-1,2-oxazol-5-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

266.9895 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 151.2
[M+Na]+ 289.97872 163.4
[M-H]- 265.98222 159.0
[M+NH4]+ 285.02332 170.2
[M+K]+ 305.95266 153.1
[M+H-H2O]+ 249.98676 150.8
[M+HCOO]- 311.98770 171.7
[M+CH3COO]- 326.00335 189.3
[M+Na-2H]- 287.96417 158.0
[M]+ 266.98895 171.5
[M]- 266.99005 171.5
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