CID 12034504

83816-59-5

Structural Information

Molecular Formula
C11H13IO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C=O)I
InChI
InChI=1S/C11H13IO2/c1-11(2,3)9-5-8(12)4-7(6-13)10(9)14/h4-6,14H,1-3H3
InChIKey
RWBVEYVFTZFSSD-UHFFFAOYSA-N
Compound name
3-tert-butyl-2-hydroxy-5-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

303.99603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.00331 153.0
[M+Na]+ 326.98525 155.2
[M-H]- 302.98875 149.2
[M+NH4]+ 322.02985 167.7
[M+K]+ 342.95919 158.5
[M+H-H2O]+ 286.99329 144.6
[M+HCOO]- 348.99423 169.1
[M+CH3COO]- 363.00988 192.3
[M+Na-2H]- 324.97070 145.6
[M]+ 303.99548 151.9
[M]- 303.99658 151.9
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.