CID 11436235

5-iodo-2-methylphenol

Structural Information

Molecular Formula
C7H7IO
SMILES
CC1=C(C=C(C=C1)I)O
InChI
InChI=1S/C7H7IO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChIKey
VVVBRLLERZUWBH-UHFFFAOYSA-N
Compound name
5-iodo-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

233.95416 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.961436 131.8
[M+Na]+ 256.943378 134.0
[M-H]- 232.946884 127.9
[M+NH4]+ 251.987983 148.8
[M+K]+ 272.917318 137.9
[M+H-H2O]+ 216.951420 123.5
[M+HCOO]- 278.952361 150.3
[M+CH3COO]- 292.968011 178.9
[M+Na-2H]- 254.928826 126.6
[M]+ 233.95361142 128.8
[M]- 233.95470858 128.8
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