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

107
Patents

245.99055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.997826 134.9
[M+Na]+ 268.979768 136.8
[M-H]- 244.983274 132.0
[M+NH4]+ 264.024373 152.2
[M+K]+ 284.953708 140.7
[M+H-H2O]+ 228.987810 126.3
[M+HCOO]- 290.988751 154.1
[M+CH3COO]- 305.004401 185.4
[M+Na-2H]- 266.965216 129.4
[M]+ 245.99000142 133.1
[M]- 245.99109858 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