CID 21923764

Bis(1h,1h-heptafluorobutyl)amine

Structural Information

Molecular Formula
C8H5F14N
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)NCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F14N/c9-3(10,5(13,14)7(17,18)19)1-23-2-4(11,12)6(15,16)8(20,21)22/h23H,1-2H2
InChIKey
ZBFYNWWMCBFWFV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

34
Patents

381.01984 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.02712 171.9
[M+Na]+ 404.00906 180.5
[M-H]- 380.01256 156.8
[M+NH4]+ 399.05366 182.3
[M+K]+ 419.98300 177.0
[M+H-H2O]+ 364.01710 157.4
[M+HCOO]- 426.01804 171.9
[M+CH3COO]- 440.03369 220.4
[M+Na-2H]- 401.99451 174.6
[M]+ 381.01929 149.5
[M]- 381.02039 149.5
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