CID 12509365

4-chloro-1-cyclopropyl-2-iodobenzene

Structural Information

Molecular Formula
C9H8ClI
SMILES
C1CC1C2=C(C=C(C=C2)Cl)I
InChI
InChI=1S/C9H8ClI/c10-7-3-4-8(6-1-2-6)9(11)5-7/h3-6H,1-2H2
InChIKey
GSGBHTZRBBSXRI-UHFFFAOYSA-N
Compound name
4-chloro-1-cyclopropyl-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.93594 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.94322 133.8
[M+Na]+ 300.92516 138.1
[M-H]- 276.92866 134.5
[M+NH4]+ 295.96976 146.0
[M+K]+ 316.89910 139.4
[M+H-H2O]+ 260.93320 125.0
[M+HCOO]- 322.93414 149.5
[M+CH3COO]- 336.94979 190.5
[M+Na-2H]- 298.91061 129.3
[M]+ 277.93539 134.8
[M]- 277.93649 134.8
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

No patent data available for this compound.