CID 155858558

2580209-50-1

Structural Information

Molecular Formula
C10H12F4O2
SMILES
C1C(CC2CC(CC1C2(F)F)(F)F)C(=O)O
InChI
InChI=1S/C10H12F4O2/c11-9(12)3-6-1-5(8(15)16)2-7(4-9)10(6,13)14/h5-7H,1-4H2,(H,15,16)
InChIKey
QFGROZIMEKFVQB-UHFFFAOYSA-N
Compound name
7,7,9,9-tetrafluorobicyclo[3.3.1]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07735 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08463 147.9
[M+Na]+ 263.06657 156.2
[M-H]- 239.07007 144.2
[M+NH4]+ 258.11117 170.5
[M+K]+ 279.04051 152.8
[M+H-H2O]+ 223.07461 140.9
[M+HCOO]- 285.07555 158.2
[M+CH3COO]- 299.09120 190.2
[M+Na-2H]- 261.05202 150.9
[M]+ 240.07680 138.6
[M]- 240.07790 138.6
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.