CID 136574238

2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H11F3O2
SMILES
C1CC2(C1)CC(C2)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H11F3O2/c10-9(11,12)8(6(13)14)4-7(5-8)2-1-3-7/h1-5H2,(H,13,14)
InChIKey
NAWSYIZPFCWINZ-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

208.07112 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07840 143.0
[M+Na]+ 231.06034 148.0
[M-H]- 207.06384 144.1
[M+NH4]+ 226.10494 151.7
[M+K]+ 247.03428 151.2
[M+H-H2O]+ 191.06838 130.1
[M+HCOO]- 253.06932 155.2
[M+CH3COO]- 267.08497 193.6
[M+Na-2H]- 229.04579 147.2
[M]+ 208.07057 153.4
[M]- 208.07167 153.4
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