CID 10631207

224584-18-3

Structural Information

Molecular Formula
C7H7F3O2
SMILES
C1C2(CC1(C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H7F3O2/c8-7(9,10)6-1-5(2-6,3-6)4(11)12/h1-3H2,(H,11,12)
InChIKey
CGISBZCYXGUFNK-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

180.03981 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04709 160.1
[M+Na]+ 203.02903 164.7
[M-H]- 179.03253 159.8
[M+NH4]+ 198.07363 165.7
[M+K]+ 219.00297 169.6
[M+H-H2O]+ 163.03707 146.7
[M+HCOO]- 225.03801 168.6
[M+CH3COO]- 239.05366 206.3
[M+Na-2H]- 201.01448 165.1
[M]+ 180.03926 181.0
[M]- 180.04036 181.0
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