CID 2783303

1-iodo-2-methyl-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6F3IO
SMILES
CC1=C(C=CC(=C1)OC(F)(F)F)I
InChI
InChI=1S/C8H6F3IO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,1H3
InChIKey
YLCOLVIMVHKUKE-UHFFFAOYSA-N
Compound name
1-iodo-2-methyl-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

301.94156 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.94884 152.6
[M+Na]+ 324.93078 155.8
[M+NH4]+ 319.97538 154.9
[M+K]+ 340.90472 153.1
[M-H]- 300.93428 144.6
[M+Na-2H]- 322.91623 145.6
[M]+ 301.94101 149.7
[M]- 301.94211 149.7
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

patents stripe