CID 13401036

1-fluoro-3-(trifluoromethyl)adamantane

Structural Information

Molecular Formula
C11H14F4
SMILES
C1C2CC3(CC1CC(C2)(C3)F)C(F)(F)F
InChI
InChI=1S/C11H14F4/c12-10-4-7-1-8(5-10)3-9(2-7,6-10)11(13,14)15/h7-8H,1-6H2
InChIKey
VBLXHEKPRVVEOC-UHFFFAOYSA-N
Compound name
1-fluoro-3-(trifluoromethyl)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10316 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11044 155.3
[M+Na]+ 245.09238 160.4
[M-H]- 221.09588 146.5
[M+NH4]+ 240.13698 182.3
[M+K]+ 261.06632 155.6
[M+H-H2O]+ 205.10042 146.1
[M+HCOO]- 267.10136 157.4
[M+CH3COO]- 281.11701 163.1
[M+Na-2H]- 243.07783 165.4
[M]+ 222.10261 149.6
[M]- 222.10371 149.6
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.