CID 58977249

1-chloro-2-ethyl-3-iodobenzene

Structural Information

Molecular Formula
C8H8ClI
SMILES
CCC1=C(C=CC=C1I)Cl
InChI
InChI=1S/C8H8ClI/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3
InChIKey
RIJYLBIBFHWULW-UHFFFAOYSA-N
Compound name
1-chloro-2-ethyl-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.93594 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94322 134.6
[M+Na]+ 288.92516 137.7
[M-H]- 264.92866 131.6
[M+NH4]+ 283.96976 151.9
[M+K]+ 304.89910 139.7
[M+H-H2O]+ 248.93320 126.8
[M+HCOO]- 310.93414 149.8
[M+CH3COO]- 324.94979 186.1
[M+Na-2H]- 286.91061 129.3
[M]+ 265.93539 134.3
[M]- 265.93649 134.3
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