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

63
Patents

233.95416 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96144 131.8
[M+Na]+ 256.94338 134.0
[M-H]- 232.94688 127.9
[M+NH4]+ 251.98798 148.8
[M+K]+ 272.91732 137.9
[M+H-H2O]+ 216.95142 123.5
[M+HCOO]- 278.95236 150.3
[M+CH3COO]- 292.96801 178.9
[M+Na-2H]- 254.92883 126.6
[M]+ 233.95361 128.8
[M]- 233.95471 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