CID 3378599

Iodonium, (4-((2-hydroxytetradecyl)oxy)phenyl)phenyl-, (oc-6-11)-hexafluoroantimonate(1-)

Structural Information

Molecular Formula
C26H38IO2
SMILES
CCCCCCCCCCCCC(COC1=CC=C(C=C1)[I+]C2=CC=CC=C2)O
InChI
InChI=1S/C26H38IO2/c1-2-3-4-5-6-7-8-9-10-14-17-25(28)22-29-26-20-18-24(19-21-26)27-23-15-12-11-13-16-23/h11-13,15-16,18-21,25,28H,2-10,14,17,22H2,1H3/q+1
InChIKey
HYGCUEYOKGLJQZ-UHFFFAOYSA-N
Compound name
[4-(2-hydroxytetradecoxy)phenyl]-phenyliodanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

865
Patents

509.19165 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.19893 227.1
[M+Na]+ 532.18087 221.0
[M-H]- 508.18437 222.5
[M+NH4]+ 527.22547 231.7
[M+K]+ 548.15481 215.3
[M+H-H2O]+ 492.18891 215.8
[M+HCOO]- 554.18985 239.0
[M+CH3COO]- 568.20550 223.5
[M+Na-2H]- 530.16632 214.7
[M]+ 509.19110 226.5
[M]- 509.19220 226.5
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