CID 67907

2,2,3,3,3-pentafluoropropanal

Structural Information

Molecular Formula
C3HF5O
SMILES
C(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C3HF5O/c4-2(5,1-9)3(6,7)8/h1H
InChIKey
IRPGOXJVTQTAAN-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

28607
Patents

147.99475 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00203 118.5
[M+Na]+ 170.98397 128.4
[M-H]- 146.98747 113.2
[M+NH4]+ 166.02857 139.8
[M+K]+ 186.95791 127.6
[M+H-H2O]+ 130.99201 111.2
[M+HCOO]- 192.99295 135.3
[M+CH3COO]- 207.00860 173.5
[M+Na-2H]- 168.96942 125.7
[M]+ 147.99420 111.9
[M]- 147.99530 111.9
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.