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]+ 244.020306 138.8
[M+Na]+ 266.002248 147.1
[M-H]- 242.005754 130.9
[M+NH4]+ 261.046853 155.5
[M+K]+ 281.976188 146.7
[M+H-H2O]+ 226.010290 129.3
[M+HCOO]- 288.011231 150.5
[M+CH3COO]- 302.026881 193.7
[M+Na-2H]- 263.987696 142.7
[M]+ 243.01248142 128.6
[M]- 243.01357858 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