CID 71310670

1119449-35-2

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C=O
InChI
InChI=1S/C11H8BrNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKey
YQMIITZUGLDSDU-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.97385 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98113 151.5
[M+Na]+ 287.96307 156.5
[M+NH4]+ 283.00767 156.1
[M+K]+ 303.93701 157.5
[M-H]- 263.96657 154.1
[M+Na-2H]- 285.94852 155.5
[M]+ 264.97330 151.8
[M]- 264.97440 151.8
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.