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
3
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 161.4
[M+Na]+ 445.98324 172.0
[M-H]- 421.98674 171.9
[M+NH4]+ 441.02784 174.4
[M+K]+ 461.95718 180.9
[M+H-H2O]+ 405.99128 159.6
[M+HCOO]- 467.99222 177.5
[M+CH3COO]- 482.00787 227.7
[M+Na-2H]- 443.96869 174.7
[M]+ 422.99347 158.7
[M]- 422.99457 158.7
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