CID 4078433

2'-iodo-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula
C18H13I
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)I
InChI
InChI=1S/C18H13I/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H
InChIKey
RLZYBGOJAWOQMK-UHFFFAOYSA-N
Compound name
2-iodo-1,3-diphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

356.0062 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.01348 163.9
[M+Na]+ 378.99542 164.5
[M-H]- 354.99892 165.6
[M+NH4]+ 374.04002 175.6
[M+K]+ 394.96936 164.7
[M+H-H2O]+ 339.00346 151.6
[M+HCOO]- 401.00440 182.5
[M+CH3COO]- 415.02005 172.0
[M+Na-2H]- 376.98087 158.6
[M]+ 356.00565 159.6
[M]- 356.00675 159.6
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