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

29722
References

106156
Patents

253.80894 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.81622 111.8
[M+Na]+ 276.79816 106.3
[M-H]- 252.80166 101.8
[M+NH4]+ 271.84276 125.5
[M+K]+ 292.77210 118.4
[M+H-H2O]+ 236.80620 102.6
[M+HCOO]- 298.80714 125.3
[M+CH3COO]- 312.82279 184.0
[M+Na-2H]- 274.78361 103.0
[M]+ 253.80839 107.0
[M]- 253.80949 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