CID 818020

(5-chloro-2-iodophenyl)methanol

Structural Information

Molecular Formula
C7H6ClIO
SMILES
C1=CC(=C(C=C1Cl)CO)I
InChI
InChI=1S/C7H6ClIO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey
MGLGJZWGRMOAJS-UHFFFAOYSA-N
Compound name
(5-chloro-2-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

267.9152 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92248 135.5
[M+Na]+ 290.90442 142.4
[M+NH4]+ 285.94902 140.7
[M+K]+ 306.87836 138.6
[M-H]- 266.90792 131.7
[M+Na-2H]- 288.88987 130.6
[M]+ 267.91465 134.7
[M]- 267.91575 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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