CID 5372934

(2e)-3-(2-iodophenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C9H7IO2
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)O)I
InChI
InChI=1S/C9H7IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
InChIKey
SBCFNNJYIXFMFS-AATRIKPKSA-N
Compound name
(E)-3-(2-iodophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

273.94907 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.95635 143.9
[M+Na]+ 296.93829 144.7
[M-H]- 272.94179 139.3
[M+NH4]+ 291.98289 158.7
[M+K]+ 312.91223 147.8
[M+H-H2O]+ 256.94633 134.9
[M+HCOO]- 318.94727 161.3
[M+CH3COO]- 332.96292 184.0
[M+Na-2H]- 294.92374 136.9
[M]+ 273.94852 140.5
[M]- 273.94962 140.5
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.