CID 71347328

2,2,3,3,4,4,4-heptafluoro-n-hydroxy-n-methylbutanamide

Structural Information

Molecular Formula
C5H4F7NO2
SMILES
CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5H4F7NO2/c1-13(15)2(14)3(6,7)4(8,9)5(10,11)12/h15H,1H3
InChIKey
UBFQJYVHHMWXJH-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-hydroxy-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

243.01303 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02031 138.8
[M+Na]+ 266.00225 147.1
[M-H]- 242.00575 130.9
[M+NH4]+ 261.04685 155.5
[M+K]+ 281.97619 146.7
[M+H-H2O]+ 226.01029 129.3
[M+HCOO]- 288.01123 150.5
[M+CH3COO]- 302.02688 193.7
[M+Na-2H]- 263.98770 142.7
[M]+ 243.01248 128.6
[M]- 243.01358 128.6
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

patents stripe