CID 86703739

1909327-73-6

Structural Information

Molecular Formula

C₈H₁₀F₂O₂

SMILES

C1CC2C(C2(F)F)CC1C(=O)O

InChI

InChI=1S/C8H10F2O2/c9-8(10)5-2-1-4(7(11)12)3-6(5)8/h4-6H,1-3H2,(H,11,12)

InChIKey

MYWUIPSUJMURKN-UHFFFAOYSA-N

Compound name

7,7-difluorobicyclo[4.1.0]heptane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 176.06488 Da
Monoisotopic Mass: 1.6
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]+	177.07216	131.9
[M+Na]+	199.05410	141.8
[M-H]-	175.05760	133.6
[M+NH4]+	194.09870	149.6
[M+K]+	215.02804	139.1
[M+H-H2O]+	159.06214	126.1
[M+HCOO]-	221.06308	148.1
[M+CH3COO]-	235.07873	181.6
[M+Na-2H]-	197.03955	136.8
[M]+	176.06433	129.8
[M]-	176.06543	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe