CID 84764732

1782869-64-0

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC(C1(CCC1)C(=O)O)(F)F
InChI
InChI=1S/C7H10F2O2/c1-6(8,9)7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11)
InChIKey
RQWBQSWJFTZBJD-UHFFFAOYSA-N
Compound name
1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.06488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 133.6
[M+Na]+ 187.054098 139.6
[M-H]- 163.057604 133.5
[M+NH4]+ 182.098703 148.8
[M+K]+ 203.028038 141.5
[M+H-H2O]+ 147.062140 124.0
[M+HCOO]- 209.063081 149.9
[M+CH3COO]- 223.078731 178.3
[M+Na-2H]- 185.039546 138.6
[M]+ 164.06433142 138.0
[M]- 164.06542858 138.0
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

patents stripe