CID 71518947

1146127-11-8

Structural Information

Molecular Formula
C15H15INO2
SMILES
CC1=CC(=C(C(=C1)C)[I+]C2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C15H15INO2/c1-10-8-11(2)15(12(3)9-10)16-13-4-6-14(7-5-13)17(18)19/h4-9H,1-3H3/q+1
InChIKey
QNAGMLXZAQIBOU-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-(2,4,6-trimethylphenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

368.01474 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02202 177.8
[M+Na]+ 391.00396 178.4
[M-H]- 367.00746 177.8
[M+NH4]+ 386.04856 188.7
[M+K]+ 406.97790 171.3
[M+H-H2O]+ 351.01200 173.4
[M+HCOO]- 413.01294 196.2
[M+CH3COO]- 427.02859 196.0
[M+Na-2H]- 388.98941 172.2
[M]+ 368.01419 173.7
[M]- 368.01529 173.7
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