CID 103545

(+)-3-(trifluoroacetyl)camphor

Structural Information

Molecular Formula
C12H15F3O2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C(C2=O)C(=O)C(F)(F)F
InChI
InChI=1S/C12H15F3O2/c1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m1/s1
InChIKey
ISLOIHOAZDSEAJ-XGLFCGLISA-N
Compound name
(1R,4R)-1,7,7-trimethyl-3-(2,2,2-trifluoroacetyl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

318
Patents

248.10242 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10970 151.3
[M+Na]+ 271.09164 161.6
[M-H]- 247.09514 151.1
[M+NH4]+ 266.13624 178.2
[M+K]+ 287.06558 158.4
[M+H-H2O]+ 231.09968 147.6
[M+HCOO]- 293.10062 166.6
[M+CH3COO]- 307.11627 194.2
[M+Na-2H]- 269.07709 153.5
[M]+ 248.10187 148.8
[M]- 248.10297 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe