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

87
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

literature stripe

Patent stripe

patents stripe