CID 3852430

1,3,5-trifluoro-2,4,6-triiodobenzene

Structural Information

Molecular Formula
C6F3I3
SMILES
C1(=C(C(=C(C(=C1I)F)I)F)I)F
InChI
InChI=1S/C6F3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
NTAZOPPTLZSXQH-UHFFFAOYSA-N
Compound name
1,3,5-trifluoro-2,4,6-triiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

509.7086 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.71588 133.7
[M+Na]+ 532.69782 124.5
[M-H]- 508.70132 122.7
[M+NH4]+ 527.74242 138.0
[M+K]+ 548.67176 137.7
[M+H-H2O]+ 492.70586 121.5
[M+HCOO]- 554.70680 138.7
[M+CH3COO]- 568.72245 222.0
[M+Na-2H]- 530.68327 120.2
[M]+ 509.70805 126.8
[M]- 509.70915 126.8
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