CID 2734195

1-ethyl-2-iodo-3-methylbenzene

Structural Information

Molecular Formula
C9H11I
SMILES
CCC1=CC=CC(=C1I)C
InChI
InChI=1S/C9H11I/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3
InChIKey
PCSPENCTMKMGFE-UHFFFAOYSA-N
Compound name
1-ethyl-2-iodo-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

245.99055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99783 134.9
[M+Na]+ 268.97977 136.8
[M-H]- 244.98327 132.0
[M+NH4]+ 264.02437 152.2
[M+K]+ 284.95371 140.7
[M+H-H2O]+ 228.98781 126.3
[M+HCOO]- 290.98875 154.1
[M+CH3COO]- 305.00440 185.4
[M+Na-2H]- 266.96522 129.4
[M]+ 245.99000 133.1
[M]- 245.99110 133.1
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