CID 4042350

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-n-(2-hydroxyethyl)heptanamide

Structural Information

Molecular Formula
C9H6F13NO2
SMILES
C(CO)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H6F13NO2/c10-4(11,3(25)23-1-2-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h24H,1-2H2,(H,23,25)
InChIKey
NRAFXYRAMCXRGD-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyethyl)heptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

407.0191 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.02638 174.5
[M+Na]+ 430.00832 182.2
[M-H]- 406.01182 161.3
[M+NH4]+ 425.05292 160.9
[M+K]+ 445.98226 179.1
[M+H-H2O]+ 390.01636 161.1
[M+HCOO]- 452.01730 172.0
[M+CH3COO]- 466.03295 221.2
[M+Na-2H]- 427.99377 177.1
[M]+ 407.01855 151.1
[M]- 407.01965 151.1
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