CID 136575763

2,2-difluorospiro[2.2]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H6F2O2
SMILES
C1CC12C(C2(F)F)C(=O)O
InChI
InChI=1S/C6H6F2O2/c7-6(8)3(4(9)10)5(6)1-2-5/h3H,1-2H2,(H,9,10)
InChIKey
XVFUXEFIBLXNBX-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.2]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

148.03358 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04086 134.5
[M+Na]+ 171.02280 143.9
[M-H]- 147.02630 138.4
[M+NH4]+ 166.06740 147.1
[M+K]+ 186.99674 144.1
[M+H-H2O]+ 131.03084 130.4
[M+HCOO]- 193.03178 150.5
[M+CH3COO]- 207.04743 186.0
[M+Na-2H]- 169.00825 139.3
[M]+ 148.03303 136.7
[M]- 148.03413 136.7
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