CID 10374737

3,3,4,4,4-pentafluorobutanal

Structural Information

Molecular Formula
C4H3F5O
SMILES
C(C=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H3F5O/c5-3(6,1-2-10)4(7,8)9/h2H,1H2
InChIKey
UNBXLINXSUCFBI-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobutanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

114
Patents

162.0104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.017676 123.4
[M+Na]+ 184.999618 132.8
[M-H]- 161.003124 117.8
[M+NH4]+ 180.044223 144.0
[M+K]+ 200.973558 131.7
[M+H-H2O]+ 145.007660 115.8
[M+HCOO]- 207.008601 139.8
[M+CH3COO]- 221.024251 176.5
[M+Na-2H]- 182.985066 130.0
[M]+ 162.00985142 117.1
[M]- 162.01094858 117.1
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