CID 13979503

(z) 2,3-diiodoacrylic acid

Structural Information

Molecular Formula

C₃H₂I₂O₂

SMILES

C(=C(/C(=O)O)\I)\I

InChI

InChI=1S/C3H2I2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)/b2-1-

InChIKey

UAEPAJNCOGKTLQ-UPHRSURJSA-N

Compound name

(Z)-2,3-diiodoprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 323.81442 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.82170	131.9
[M+Na]+	346.80364	125.2
[M-H]-	322.80714	120.6
[M+NH4]+	341.84824	142.6
[M+K]+	362.77758	136.3
[M+H-H2O]+	306.81168	122.1
[M+HCOO]-	368.81262	142.5
[M+CH3COO]-	382.82827	190.8
[M+Na-2H]-	344.78909	118.9
[M]+	323.81387	126.3
[M]-	323.81497	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe