CID 2783303

886763-05-9

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

34
Patents

301.94156 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.948836 142.2
[M+Na]+ 324.930778 145.1
[M-H]- 300.934284 135.8
[M+NH4]+ 319.975383 157.2
[M+K]+ 340.904718 148.7
[M+H-H2O]+ 284.938820 131.2
[M+HCOO]- 346.939761 157.4
[M+CH3COO]- 360.955411 191.9
[M+Na-2H]- 322.916226 136.0
[M]+ 301.94101142 137.5
[M]- 301.94210858 137.5
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