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 148.6
[M+Na]+ 287.96307 162.4
[M-H]- 263.96657 158.1
[M+NH4]+ 283.00767 168.6
[M+K]+ 303.93701 152.5
[M+H-H2O]+ 247.97111 148.3
[M+HCOO]- 309.97205 170.8
[M+CH3COO]- 323.98770 192.0
[M+Na-2H]- 285.94852 155.3
[M]+ 264.97330 170.4
[M]- 264.97440 170.4
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.