CID 11097174

2-iodoquinoxaline

Structural Information

Molecular Formula
C8H5IN2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)I
InChI
InChI=1S/C8H5IN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKey
MVOAJLXOFBNEIM-UHFFFAOYSA-N
Compound name
2-iodoquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

255.94975 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95703 128.6
[M+Na]+ 278.93897 131.6
[M-H]- 254.94247 123.6
[M+NH4]+ 273.98357 143.5
[M+K]+ 294.91291 134.4
[M+H-H2O]+ 238.94701 118.0
[M+HCOO]- 300.94795 145.7
[M+CH3COO]- 314.96360 138.5
[M+Na-2H]- 276.92442 128.2
[M]+ 255.94920 126.0
[M]- 255.95030 126.0
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