CID 597974

N-methyl-bis-heptafluorobutyramide

Structural Information

Molecular Formula
C9H3F14NO2
SMILES
CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F14NO2/c1-24(2(25)4(10,11)6(14,15)8(18,19)20)3(26)5(12,13)7(16,17)9(21,22)23/h1H3
InChIKey
BCQYNSPESDDJBZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

14
Patents

422.99402 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.00130 174.4
[M+Na]+ 445.98324 174.2
[M+NH4]+ 441.02784 173.5
[M+K]+ 461.95718 173.6
[M-H]- 421.98674 170.7
[M+Na-2H]- 443.96869 173.1
[M]+ 422.99347 173.2
[M]- 422.99457 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe