CID 2779253

1,2,3-trifluoro-4-iodobenzene

Structural Information

Molecular Formula
C6H2F3I
SMILES
C1=CC(=C(C(=C1F)F)F)I
InChI
InChI=1S/C6H2F3I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
InChIKey
YDSUNVSIBZATIU-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

257.91534 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92262 125.4
[M+Na]+ 280.90456 129.6
[M-H]- 256.90806 119.4
[M+NH4]+ 275.94916 142.3
[M+K]+ 296.87850 132.9
[M+H-H2O]+ 240.91260 114.8
[M+HCOO]- 302.91354 142.6
[M+CH3COO]- 316.92919 185.7
[M+Na-2H]- 278.89001 119.5
[M]+ 257.91479 119.7
[M]- 257.91589 119.7
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