CID 72546672

1-fluoro-3,3-dimethyl-1,2-benziodoxole

Structural Information

Molecular Formula
C9H10FIO
SMILES
CC1(C2=CC=CC=C2I(O1)F)C
InChI
InChI=1S/C9H10FIO/c1-9(2)7-5-3-4-6-8(7)11(10)12-9/h3-6H,1-2H3
InChIKey
FISITPXJYDTLHI-UHFFFAOYSA-N
Compound name
1-fluoro-3,3-dimethyl-1lambda3,2-benziodoxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

279.97604 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98332 141.9
[M+Na]+ 302.96526 146.8
[M+NH4]+ 298.00986 148.3
[M+K]+ 318.93920 143.5
[M-H]- 278.96876 138.3
[M+Na-2H]- 300.95071 135.9
[M]+ 279.97549 140.7
[M]- 279.97659 140.7
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