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]+ 254.94768 130.7
[M+Na]+ 276.92962 132.3
[M-H]- 252.93312 125.1
[M+NH4]+ 271.97422 147.1
[M+K]+ 292.90356 136.2
[M+H-H2O]+ 236.93766 120.3
[M+HCOO]- 298.93860 147.6
[M+CH3COO]- 312.95425 184.6
[M+Na-2H]- 274.91507 124.6
[M]+ 253.93985 125.1
[M]- 253.94095 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