CID 3832843

3-bromo-4-(propan-2-yloxy)benzaldehyde

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC(C)OC1=C(C=C(C=C1)C=O)Br
InChI
InChI=1S/C10H11BrO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-7H,1-2H3
InChIKey
QKKWLPJYKNZGRV-UHFFFAOYSA-N
Compound name
3-bromo-4-propan-2-yloxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

241.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 143.1
[M+Na]+ 264.98347 154.9
[M-H]- 240.98697 149.7
[M+NH4]+ 260.02807 164.6
[M+K]+ 280.95741 144.6
[M+H-H2O]+ 224.99151 143.3
[M+HCOO]- 286.99245 164.4
[M+CH3COO]- 301.00810 190.6
[M+Na-2H]- 262.96892 149.2
[M]+ 241.99370 164.1
[M]- 241.99480 164.1
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