CID 135392880

2231666-16-1

Structural Information

Molecular Formula

SMILES

C1C(CC1(C(=O)O)F)O

InChI

InChI=1S/C5H7FO3/c6-5(4(8)9)1-3(7)2-5/h3,7H,1-2H2,(H,8,9)

InChIKey

VBTFHIFYYPNOLN-UHFFFAOYSA-N

Compound name

1-fluoro-3-hydroxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 134.03792 Da
Monoisotopic Mass: -0.1
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]+	135.045196	124.4
[M+Na]+	157.027138	131.1
[M-H]-	133.030644	124.7
[M+NH4]+	152.071743	140.3
[M+K]+	173.001078	133.1
[M+H-H2O]+	117.035180	115.7
[M+HCOO]-	179.036121	142.6
[M+CH3COO]-	193.051771	170.0
[M+Na-2H]-	155.012586	129.2
[M]+	134.03737142	129.8
[M]-	134.03846858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe