CID 67939

Pentafluoroacetone

Structural Information

Molecular Formula
C3HF5O
SMILES
C(C(=O)C(F)(F)F)(F)F
InChI
InChI=1S/C3HF5O/c4-2(5)1(9)3(6,7)8/h2H
InChIKey
WQAWXRFLNDAOON-UHFFFAOYSA-N
Compound name
1,1,1,3,3-pentafluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

288
Patents

147.99475 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00203 118.5
[M+Na]+ 170.98397 127.4
[M-H]- 146.98747 112.9
[M+NH4]+ 166.02857 139.5
[M+K]+ 186.95791 127.1
[M+H-H2O]+ 130.99201 110.6
[M+HCOO]- 192.99295 134.8
[M+CH3COO]- 207.00860 174.8
[M+Na-2H]- 168.96942 122.5
[M]+ 147.99420 111.1
[M]- 147.99530 111.1
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