CID 11790597

531508-33-5

Structural Information

Molecular Formula

C₉H₆F₂O₄

SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)CC(=O)O

InChI

InChI=1S/C9H6F2O4/c10-9(11)14-6-3-1-2-5(4-7(12)13)8(6)15-9/h1-3H,4H2,(H,12,13)

InChIKey

MALUPQXIZSPUNS-UHFFFAOYSA-N

Compound name

2-(2,2-difluoro-1,3-benzodioxol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 216.02342 Da
Monoisotopic Mass: 2.0
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]+	217.03070	144.6
[M+Na]+	239.01264	154.2
[M+NH4]+	234.05724	152.0
[M+K]+	254.98658	150.5
[M-H]-	215.01614	144.4
[M+Na-2H]-	236.99809	147.4
[M]+	216.02287	145.8
[M]-	216.02397	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe