CID 71348419

188838-46-2

Structural Information

Molecular Formula
C10H12F7NO
SMILES
CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C10H12F7NO/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H,18H2,1-3H3
InChIKey
TXUFJTGLMQILHR-UHFFFAOYSA-N
Compound name
6-amino-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

295.08072 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08800 156.5
[M+Na]+ 318.06994 163.5
[M-H]- 294.07344 147.7
[M+NH4]+ 313.11454 171.0
[M+K]+ 334.04388 161.2
[M+H-H2O]+ 278.07798 147.2
[M+HCOO]- 340.07892 164.4
[M+CH3COO]- 354.09457 204.7
[M+Na-2H]- 316.05539 157.9
[M]+ 295.08017 144.2
[M]- 295.08127 144.2
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.