CID 2776382

Perfluorotridecane

Structural Information

Molecular Formula
C13F28
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13F28/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41
InChIKey
XJRHWVMSUNRDCA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-octacosafluorotridecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

133
Patents

687.95526 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.96254 192.1
[M+Na]+ 710.94448 195.6
[M-H]- 686.94798 202.5
[M+NH4]+ 705.98908 203.4
[M+K]+ 726.91842 209.7
[M+H-H2O]+ 670.95252 179.3
[M+HCOO]- 732.95346 210.0
[M+CH3COO]- 746.96911 260.6
[M+Na-2H]- 708.92993 195.0
[M]+ 687.95471 189.6
[M]- 687.95581 189.6
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