CID 14175377

1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-one

Structural Information

Molecular Formula
C5F10O
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F
InChI
InChI=1S/C5F10O/c6-2(4(10,11)12,5(13,14)15)1(16)3(7,8)9
InChIKey
ABQIAHFCJGVSDJ-UHFFFAOYSA-N
Compound name
1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

787
Patents

265.97894 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98622 141.5
[M+Na]+ 288.96816 151.4
[M-H]- 264.97166 130.5
[M+NH4]+ 284.01276 157.3
[M+K]+ 304.94210 149.5
[M+H-H2O]+ 248.97620 130.4
[M+HCOO]- 310.97714 148.2
[M+CH3COO]- 324.99279 195.4
[M+Na-2H]- 286.95361 145.2
[M]+ 265.97839 126.2
[M]- 265.97949 126.2
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