CID 797006

5-bromo-3-(tert-butyl)-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C=O)Br
InChI
InChI=1S/C11H13BrO2/c1-11(2,3)9-5-8(12)4-7(6-13)10(9)14/h4-6,14H,1-3H3
InChIKey
DTEMRMZXDSDCPQ-UHFFFAOYSA-N
Compound name
5-bromo-3-tert-butyl-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

114
Patents

256.0099 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 148.3
[M+Na]+ 278.99912 151.7
[M+NH4]+ 274.04372 152.5
[M+K]+ 294.97306 152.2
[M-H]- 255.00262 147.9
[M+Na-2H]- 276.98457 150.9
[M]+ 256.00935 147.6
[M]- 256.01045 147.6
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