CID 10645393

184905-10-0

Structural Information

Molecular Formula
C19H12INO2
SMILES
C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=C(C=C4)I)C(=O)C3=O
InChI
InChI=1S/C19H12INO2/c20-15-7-8-17-16(10-15)18(22)19(23)21(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2
InChIKey
DTZJIZCNNNVZIT-UHFFFAOYSA-N
Compound name
5-iodo-1-(naphthalen-2-ylmethyl)indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

412.99127 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.99855 169.3
[M+Na]+ 435.98049 172.7
[M-H]- 411.98399 169.4
[M+NH4]+ 431.02509 181.9
[M+K]+ 451.95443 172.2
[M+H-H2O]+ 395.98853 157.5
[M+HCOO]- 457.98947 184.9
[M+CH3COO]- 472.00512 177.4
[M+Na-2H]- 433.96594 162.0
[M]+ 412.99072 167.9
[M]- 412.99182 167.9
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

No patent data available for this compound.