CID 807

Iodine

Structural Information

Molecular Formula
I2
SMILES
II
InChI
InChI=1S/I2/c1-2
InChIKey
PNDPGZBMCMUPRI-UHFFFAOYSA-N
Compound name
molecular iodine
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

28190
References

225017
Patents

253.80894 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.816216 111.8
[M+Na]+ 276.798158 106.3
[M-H]- 252.801664 101.8
[M+NH4]+ 271.842763 125.5
[M+K]+ 292.772098 118.4
[M+H-H2O]+ 236.806200 102.6
[M+HCOO]- 298.807141 125.3
[M+CH3COO]- 312.822791 184.0
[M+Na-2H]- 274.783606 103.0
[M]+ 253.80839142 107.0
[M]- 253.80948858 107.0
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