CID 155943590

2613384-93-1

Structural Information

Molecular Formula
C7H6F2O2
SMILES
C1C(CC1(F)F)C#CC(=O)O
InChI
InChI=1S/C7H6F2O2/c8-7(9)3-5(4-7)1-2-6(10)11/h5H,3-4H2,(H,10,11)
InChIKey
DVAPDEPXMRYDLZ-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.040856 124.7
[M+Na]+ 183.022798 133.8
[M-H]- 159.026304 124.4
[M+NH4]+ 178.067403 138.9
[M+K]+ 198.996738 134.6
[M+H-H2O]+ 143.030840 110.1
[M+HCOO]- 205.031781 138.1
[M+CH3COO]- 219.047431 184.8
[M+Na-2H]- 181.008246 128.6
[M]+ 160.03303142 124.0
[M]- 160.03412858 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.