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

28608
Patents

147.99475 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.002026 118.5
[M+Na]+ 170.983968 128.4
[M-H]- 146.987474 113.2
[M+NH4]+ 166.028573 139.8
[M+K]+ 186.957908 127.6
[M+H-H2O]+ 130.992010 111.2
[M+HCOO]- 192.992951 135.3
[M+CH3COO]- 207.008601 173.5
[M+Na-2H]- 168.969416 125.7
[M]+ 147.99420142 111.9
[M]- 147.99529858 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

literature stripe

Patent stripe

patents stripe