CID 256592

1-(4-iodophenyl)propan-1-one

Structural Information

Molecular Formula
C9H9IO
SMILES
CCC(=O)C1=CC=C(C=C1)I
InChI
InChI=1S/C9H9IO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey
FJTCRHXSVHRKBR-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

259.96982 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97710 139.2
[M+Na]+ 282.95904 140.2
[M-H]- 258.96254 135.9
[M+NH4]+ 278.00364 155.4
[M+K]+ 298.93298 144.2
[M+H-H2O]+ 242.96708 130.1
[M+HCOO]- 304.96802 157.7
[M+CH3COO]- 318.98367 186.1
[M+Na-2H]- 280.94449 132.9
[M]+ 259.96927 137.1
[M]- 259.97037 137.1
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