CID 6433940

Trans-3-chloro-4'-iodoacrylophenone

Structural Information

Molecular Formula
C9H6ClIO
SMILES
C1=CC(=CC=C1C(=O)/C=C/Cl)I
InChI
InChI=1S/C9H6ClIO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-6H/b6-5+
InChIKey
JDDMSOFLSWIWJQ-AATRIKPKSA-N
Compound name
(E)-3-chloro-1-(4-iodophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9152 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.92248 141.7
[M+Na]+ 314.90442 143.9
[M-H]- 290.90792 138.4
[M+NH4]+ 309.94902 157.5
[M+K]+ 330.87836 145.4
[M+H-H2O]+ 274.91246 133.6
[M+HCOO]- 336.91340 156.3
[M+CH3COO]- 350.92905 188.2
[M+Na-2H]- 312.88987 135.3
[M]+ 291.91465 140.8
[M]- 291.91575 140.8
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.