CID 21709796

4,4'-diiodo-trans-stilbene

Structural Information

Molecular Formula
C14H10I2
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)I)I
InChI
InChI=1S/C14H10I2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H/b2-1+
InChIKey
BYEYAZGFUKIZPM-OWOJBTEDSA-N
Compound name
1-iodo-4-[(E)-2-(4-iodophenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

431.8872 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.89448 162.8
[M+Na]+ 454.87642 156.2
[M-H]- 430.87992 156.0
[M+NH4]+ 449.92102 170.3
[M+K]+ 470.85036 163.4
[M+H-H2O]+ 414.88446 149.8
[M+HCOO]- 476.88540 174.6
[M+CH3COO]- 490.90105 209.8
[M+Na-2H]- 452.86187 150.4
[M]+ 431.88665 157.0
[M]- 431.88775 157.0
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