CID 65477024

4-(4-iodophenyl)butan-2-one

Structural Information

Molecular Formula
C10H11IO
SMILES
CC(=O)CCC1=CC=C(C=C1)I
InChI
InChI=1S/C10H11IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3
InChIKey
KRODAABNJFTHLD-UHFFFAOYSA-N
Compound name
4-(4-iodophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

273.98547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99275 144.2
[M+Na]+ 296.97469 144.7
[M-H]- 272.97819 140.7
[M+NH4]+ 292.01929 159.8
[M+K]+ 312.94863 148.5
[M+H-H2O]+ 256.98273 134.9
[M+HCOO]- 318.98367 162.4
[M+CH3COO]- 332.99932 188.9
[M+Na-2H]- 294.96014 137.3
[M]+ 273.98492 142.4
[M]- 273.98602 142.4
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