CID 4541084

2,6-diiodo-4-methylphenol

Structural Information

Molecular Formula
C7H6I2O
SMILES
CC1=CC(=C(C(=C1)I)O)I
InChI
InChI=1S/C7H6I2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKey
YLNIUGKLFHIHRA-UHFFFAOYSA-N
Compound name
2,6-diiodo-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

359.8508 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.85808 140.6
[M+Na]+ 382.84002 135.6
[M-H]- 358.84352 131.9
[M+NH4]+ 377.88462 150.8
[M+K]+ 398.81396 145.2
[M+H-H2O]+ 342.84806 130.0
[M+HCOO]- 404.84900 152.3
[M+CH3COO]- 418.86465 198.3
[M+Na-2H]- 380.82547 128.5
[M]+ 359.85025 136.0
[M]- 359.85135 136.0
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