CID 329553

69429-70-5

Structural Information

Molecular Formula
C9H11IO2
SMILES
CC1(C2=CC=CC=C2I(O1)O)C
InChI
InChI=1S/C9H11IO2/c1-9(2)7-5-3-4-6-8(7)10(11)12-9/h3-6,11H,1-2H3
InChIKey
LYUULLIYJCLGFU-UHFFFAOYSA-N
Compound name
1-hydroxy-3,3-dimethyl-1lambda3,2-benziodoxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.98038 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98766 139.9
[M+Na]+ 300.96960 142.8
[M-H]- 276.97310 137.4
[M+NH4]+ 296.01420 158.5
[M+K]+ 316.94354 147.0
[M+H-H2O]+ 260.97764 132.3
[M+HCOO]- 322.97858 156.5
[M+CH3COO]- 336.99423 184.0
[M+Na-2H]- 298.95505 135.6
[M]+ 277.97983 138.1
[M]- 277.98093 138.1
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