CID 146109768

2229279-61-0

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

C1C(C1(F)F)(CF)C(=O)O

InChI

InChI=1S/C5H5F3O2/c6-2-4(3(9)10)1-5(4,7)8/h1-2H2,(H,9,10)

InChIKey

SCQYNKBLBBBADU-UHFFFAOYSA-N

Compound name

2,2-difluoro-1-(fluoromethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.02417 Da
Monoisotopic Mass: 0.7
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]+	155.031446	120.8
[M+Na]+	177.013388	132.1
[M-H]-	153.016894	121.4
[M+NH4]+	172.057993	140.1
[M+K]+	192.987328	131.0
[M+H-H2O]+	137.021430	115.7
[M+HCOO]-	199.022371	139.6
[M+CH3COO]-	213.038021	176.3
[M+Na-2H]-	174.998836	127.5
[M]+	154.02362142	120.4
[M]-	154.02471858	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe