CID 23655277

Methyl 2-iodo-6-methylbenzoate

Structural Information

Molecular Formula
C9H9IO2
SMILES
CC1=C(C(=CC=C1)I)C(=O)OC
InChI
InChI=1S/C9H9IO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
InChIKey
QDKBSGNTMQAIHK-UHFFFAOYSA-N
Compound name
methyl 2-iodo-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

275.96472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.971996 142.3
[M+Na]+ 298.953938 144.2
[M-H]- 274.957444 139.5
[M+NH4]+ 293.998543 158.2
[M+K]+ 314.927878 148.8
[M+H-H2O]+ 258.961980 133.3
[M+HCOO]- 320.962921 161.1
[M+CH3COO]- 334.978571 188.4
[M+Na-2H]- 296.939386 135.3
[M]+ 275.96417142 141.8
[M]- 275.96526858 141.8
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