CID 165360318

Geaptzxdrqfmto-uhfffaoysa-n

Structural Information

Molecular Formula
C20H12I
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=CC5=CC=CC=C5C=C4[I+]3
InChI
InChI=1S/C20H12I/c1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20(18)21-19/h1-12H/q+1
InChIKey
GEAPTZXDRQFMTO-UHFFFAOYSA-N
Compound name
12-iodoniapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.99838 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.005656 159.8
[M+Na]+ 401.987598 163.4
[M-H]- 377.991104 160.1
[M+NH4]+ 397.032203 176.2
[M+K]+ 417.961538 156.6
[M+H-H2O]+ 361.995640 151.1
[M+HCOO]- 423.996581 176.0
[M+CH3COO]- 438.012231 168.4
[M+Na-2H]- 399.973046 160.1
[M]+ 378.99783142 157.6
[M]- 378.99892858 157.6
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

No patent data available for this compound.