CID 9397

Perfluorotributylamine

Structural Information

Molecular Formula
C12F27N
SMILES
C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33
InChIKey
RVZRBWKZFJCCIB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

263
References

26411
Patents

670.95996 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.96724 190.4
[M+Na]+ 693.94918 195.8
[M-H]- 669.95268 202.6
[M+NH4]+ 688.99378 203.0
[M+K]+ 709.92312 208.7
[M+H-H2O]+ 653.95722 178.5
[M+HCOO]- 715.95816 207.0
[M+CH3COO]- 729.97381 261.9
[M+Na-2H]- 691.93463 193.6
[M]+ 670.95941 186.5
[M]- 670.96051 186.5
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