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

44
Patents

267.9152 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.922476 135.9
[M+Na]+ 290.904418 138.9
[M-H]- 266.907924 131.7
[M+NH4]+ 285.949023 152.3
[M+K]+ 306.878358 140.8
[M+H-H2O]+ 250.912460 128.3
[M+HCOO]- 312.913401 150.1
[M+CH3COO]- 326.929051 182.6
[M+Na-2H]- 288.889866 130.4
[M]+ 267.91465142 134.8
[M]- 267.91574858 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

literature stripe

Patent stripe

patents stripe