CID 45489858

2-chloro-5-iodo-4-methylphenol

Structural Information

Molecular Formula
C7H6ClIO
SMILES
CC1=CC(=C(C=C1I)O)Cl
InChI
InChI=1S/C7H6ClIO/c1-4-2-5(8)7(10)3-6(4)9/h2-3,10H,1H3
InChIKey
GEVKVRLYQLACAZ-UHFFFAOYSA-N
Compound name
2-chloro-5-iodo-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92248 135.5
[M+Na]+ 290.90442 142.7
[M+NH4]+ 285.94902 140.8
[M+K]+ 306.87836 139.1
[M-H]- 266.90792 131.8
[M+Na-2H]- 288.88987 130.4
[M]+ 267.91465 134.8
[M]- 267.91575 134.8
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

No patent data available for this compound.