CID 2962252

3-(3-bromophenyl)-4,5-dihydroisoxazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C10H8BrNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKey
PPLKIMIGZSEKTE-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

268.96875 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97603 152.1
[M+Na]+ 291.95797 154.9
[M+NH4]+ 287.00257 155.9
[M+K]+ 307.93191 157.6
[M-H]- 267.96147 153.5
[M+Na-2H]- 289.94342 154.6
[M]+ 268.96820 151.6
[M]- 268.96930 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe