CID 65709823

Akos015049464

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
CC1=C(OC(=N1)C2=CC(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C11H8BrNO3/c1-6-9(11(14)15)16-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
InChIKey
RRRRSGFQRYVQJI-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.96875 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97603 154.6
[M+Na]+ 303.95797 158.4
[M+NH4]+ 299.00257 158.3
[M+K]+ 319.93191 160.9
[M-H]- 279.96147 156.2
[M+Na-2H]- 301.94342 157.4
[M]+ 280.96820 154.3
[M]- 280.96930 154.3
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.