CID 2774882

N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide

Structural Information

Molecular Formula
C7H6F7NO
SMILES
C=CC(=O)NCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H6F7NO/c1-2-4(16)15-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2,(H,15,16)
InChIKey
SQBHHHGUOQBSBF-UHFFFAOYSA-N
Compound name
N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

253.03377 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04105 144.8
[M+Na]+ 276.02299 152.8
[M-H]- 252.02649 136.4
[M+NH4]+ 271.06759 161.1
[M+K]+ 291.99693 150.3
[M+H-H2O]+ 236.03103 135.0
[M+HCOO]- 298.03197 156.7
[M+CH3COO]- 312.04762 195.8
[M+Na-2H]- 274.00844 148.6
[M]+ 253.03322 133.9
[M]- 253.03432 133.9
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