CID 46311735

1-(difluoromethyl)-2-iodobenzene

Structural Information

Molecular Formula
C7H5F2I
SMILES
C1=CC=C(C(=C1)C(F)F)I
InChI
InChI=1S/C7H5F2I/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H
InChIKey
XHKZFILEALTNMG-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

253.9404 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.947676 130.7
[M+Na]+ 276.929618 132.3
[M-H]- 252.933124 125.1
[M+NH4]+ 271.974223 147.1
[M+K]+ 292.903558 136.2
[M+H-H2O]+ 236.937660 120.3
[M+HCOO]- 298.938601 147.6
[M+CH3COO]- 312.954251 184.6
[M+Na-2H]- 274.915066 124.6
[M]+ 253.93985142 125.1
[M]- 253.94094858 125.1
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