CID 137964699

2375816-30-9

Structural Information

Molecular Formula

C₆H₈F₂O₂

SMILES

CC([C@@H]1C[C@H]1C(=O)O)(F)F

InChI

InChI=1S/C6H8F2O2/c1-6(7,8)4-2-3(4)5(9)10/h3-4H,2H2,1H3,(H,9,10)/t3-,4-/m1/s1

InChIKey

ONTVBKAFCGRFDD-QWWZWVQMSA-N

Compound name

(1R,2R)-2-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 150.04924 Da
Monoisotopic Mass: 1.2
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]+	151.05652	122.9
[M+Na]+	173.03846	132.8
[M-H]-	149.04196	124.2
[M+NH4]+	168.08306	138.8
[M+K]+	189.01240	130.5
[M+H-H2O]+	133.04650	116.6
[M+HCOO]-	195.04744	141.7
[M+CH3COO]-	209.06309	177.3
[M+Na-2H]-	171.02391	128.0
[M]+	150.04869	122.7
[M]-	150.04979	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe