CID 11807269

4-iodotoluene difluoride

Structural Information

Molecular Formula
C7H7F2I
SMILES
CC1=CC=C(C=C1)I(F)F
InChI
InChI=1S/C7H7F2I/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3
InChIKey
ROJCSEAEQFJFGO-UHFFFAOYSA-N
Compound name
difluoro-(4-methylphenyl)-lambda3-iodane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

255.95605 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.96333 131.1
[M+Na]+ 278.94527 132.7
[M-H]- 254.94877 125.5
[M+NH4]+ 273.98987 147.5
[M+K]+ 294.91921 136.5
[M+H-H2O]+ 238.95331 120.7
[M+HCOO]- 300.95425 147.9
[M+CH3COO]- 314.96990 184.6
[M+Na-2H]- 276.93072 125.0
[M]+ 255.95550 125.5
[M]- 255.95660 125.5
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