CID 13196723

2,2,3,3,4,4,4-heptafluoro-n-hydroxybutanamide

Structural Information

Molecular Formula
C4H2F7NO2
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)NO
InChI
InChI=1S/C4H2F7NO2/c5-2(6,1(13)12-14)3(7,8)4(9,10)11/h14H,(H,12,13)
InChIKey
MQDFWVHNHDFZGQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

228.99738 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.004656 135.2
[M+Na]+ 251.986598 143.6
[M-H]- 227.990104 125.9
[M+NH4]+ 247.031203 151.7
[M+K]+ 267.960538 142.1
[M+H-H2O]+ 211.994640 126.0
[M+HCOO]- 273.995581 146.6
[M+CH3COO]- 288.011231 187.3
[M+Na-2H]- 249.972046 140.2
[M]+ 228.99683142 123.3
[M]- 228.99792858 123.3
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