CID 138396321

2-amino-5,5,6,6,7,7,7-heptafluoroheptanoic acid

Structural Information

Molecular Formula
C7H8F7NO2
SMILES
C(CC(C(C(F)(F)F)(F)F)(F)F)C(C(=O)O)N
InChI
InChI=1S/C7H8F7NO2/c8-5(9,2-1-3(15)4(16)17)6(10,11)7(12,13)14/h3H,1-2,15H2,(H,16,17)
InChIKey
GKSUAUQGBVCVPS-UHFFFAOYSA-N
Compound name
2-amino-5,5,6,6,7,7,7-heptafluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.0443 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05158 148.6
[M+Na]+ 294.03352 155.5
[M-H]- 270.03702 138.3
[M+NH4]+ 289.07812 163.1
[M+K]+ 310.00746 153.5
[M+H-H2O]+ 254.04156 139.0
[M+HCOO]- 316.04250 157.5
[M+CH3COO]- 330.05815 197.0
[M+Na-2H]- 292.01897 149.9
[M]+ 271.04375 136.3
[M]- 271.04485 136.3
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.