CID 154814316

2551116-61-9

Structural Information

Molecular Formula
C10H11F3O2
SMILES
C1CC2C=CC1CC2(C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H11F3O2/c11-10(12,13)9(8(14)15)5-6-1-3-7(9)4-2-6/h1,3,6-7H,2,4-5H2,(H,14,15)
InChIKey
FNQPMZGSTBCJKX-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07840 149.6
[M+Na]+ 243.06034 155.7
[M-H]- 219.06384 141.7
[M+NH4]+ 238.10494 173.7
[M+K]+ 259.03428 152.5
[M+H-H2O]+ 203.06838 143.8
[M+HCOO]- 265.06932 156.1
[M+CH3COO]- 279.08497 189.2
[M+Na-2H]- 241.04579 159.6
[M]+ 220.07057 146.8
[M]- 220.07167 146.8
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.