CID 85443964

70168-24-0

Structural Information

Molecular Formula
C7H6F7NO
SMILES
CC(=O)C=C(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C7H6F7NO/c1-3(16)2-4(15)5(8,9)6(10,11)7(12,13)14/h2H,15H2,1H3
InChIKey
NZQRKNKAYBTPRP-UHFFFAOYSA-N
Compound name
4-amino-5,5,6,6,7,7,7-heptafluorohept-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

253.03377 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04105 144.2
[M+Na]+ 276.02299 152.0
[M-H]- 252.02649 135.5
[M+NH4]+ 271.06759 160.2
[M+K]+ 291.99693 149.7
[M+H-H2O]+ 236.03103 134.7
[M+HCOO]- 298.03197 154.6
[M+CH3COO]- 312.04762 195.9
[M+Na-2H]- 274.00844 145.9
[M]+ 253.03322 131.6
[M]- 253.03432 131.6
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

No patent data available for this compound.