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]+ 161.04086 124.7
[M+Na]+ 183.02280 133.8
[M-H]- 159.02630 124.4
[M+NH4]+ 178.06740 138.9
[M+K]+ 198.99674 134.6
[M+H-H2O]+ 143.03084 110.1
[M+HCOO]- 205.03178 138.1
[M+CH3COO]- 219.04743 184.8
[M+Na-2H]- 181.00825 128.6
[M]+ 160.03303 124.0
[M]- 160.03413 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.