CID 51341935

4-chloro-2-iodo-6-methylphenol

Structural Information

Molecular Formula
C7H6ClIO
SMILES
CC1=CC(=CC(=C1O)I)Cl
InChI
InChI=1S/C7H6ClIO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey
XLGCDJBIFRLTJZ-UHFFFAOYSA-N
Compound name
4-chloro-2-iodo-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 134.5
[M+Na]+ 290.90442 138.4
[M-H]- 266.90792 130.8
[M+NH4]+ 285.94902 151.3
[M+K]+ 306.87836 140.4
[M+H-H2O]+ 250.91246 127.3
[M+HCOO]- 312.91340 148.8
[M+CH3COO]- 326.92905 183.7
[M+Na-2H]- 288.88987 128.5
[M]+ 267.91465 133.8
[M]- 267.91575 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