CID 46941888

37759-73-2

Structural Information

Molecular Formula

C₄H₄F₂O₂

SMILES

C(=C/C(=O)O)\C(F)F

InChI

InChI=1S/C4H4F2O2/c5-3(6)1-2-4(7)8/h1-3H,(H,7,8)/b2-1+

InChIKey

IAXOWEBVJCVNQS-OWOJBTEDSA-N

Compound name

(E)-4,4-difluorobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 122.01794 Da
Monoisotopic Mass: 0.9
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]+	123.02522	118.6
[M+Na]+	145.00716	126.5
[M-H]-	121.01066	115.2
[M+NH4]+	140.05176	140.1
[M+K]+	160.98110	125.7
[M+H-H2O]+	105.01520	113.0
[M+HCOO]-	167.01614	138.4
[M+CH3COO]-	181.03179	167.0
[M+Na-2H]-	142.99261	122.6
[M]+	122.01739	114.9
[M]-	122.01849	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe