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

13
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

literature stripe

Patent stripe

patents stripe