CID 257250

N-(2-chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C6H5ClF7NO
SMILES
C(CCl)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5ClF7NO/c7-1-2-15-3(16)4(8,9)5(10,11)6(12,13)14/h1-2H2,(H,15,16)
InChIKey
ORSKKCUOGCUQSI-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.99478 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00206 145.1
[M+Na]+ 297.98400 153.9
[M-H]- 273.98750 136.9
[M+NH4]+ 293.02860 161.5
[M+K]+ 313.95794 150.1
[M+H-H2O]+ 257.99204 136.2
[M+HCOO]- 319.99298 152.9
[M+CH3COO]- 334.00863 197.5
[M+Na-2H]- 295.96945 149.2
[M]+ 274.99423 136.6
[M]- 274.99533 136.6
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.