CID 12543813

1,3-diiodotetrafluorobenzene

Structural Information

Molecular Formula
C6F4I2
SMILES
C1(=C(C(=C(C(=C1F)I)F)I)F)F
InChI
InChI=1S/C6F4I2/c7-1-2(8)5(11)4(10)6(12)3(1)9
InChIKey
FVJBAXUUZIEJCB-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrafluoro-4,6-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

401.80255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.80983 129.3
[M+Na]+ 424.79177 126.8
[M-H]- 400.79527 118.2
[M+NH4]+ 419.83637 139.0
[M+K]+ 440.76571 135.6
[M+H-H2O]+ 384.79981 116.4
[M+HCOO]- 446.80075 139.3
[M+CH3COO]- 460.81640 207.0
[M+Na-2H]- 422.77722 116.4
[M]+ 401.80200 121.9
[M]- 401.80310 121.9
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