CID 126650641

5-chloro-2-iodo-4-methylphenol

Structural Information

Molecular Formula
C7H6ClIO
SMILES
CC1=CC(=C(C=C1Cl)O)I
InChI
InChI=1S/C7H6ClIO/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3
InChIKey
PWVBOEYQGUMZGL-UHFFFAOYSA-N
Compound name
5-chloro-2-iodo-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

267.9152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.922476 134.5
[M+Na]+ 290.904418 138.4
[M-H]- 266.907924 130.8
[M+NH4]+ 285.949023 151.3
[M+K]+ 306.878358 140.4
[M+H-H2O]+ 250.912460 127.3
[M+HCOO]- 312.913401 148.8
[M+CH3COO]- 326.929051 183.7
[M+Na-2H]- 288.889866 128.5
[M]+ 267.91465142 133.8
[M]- 267.91574858 133.8
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

patents stripe