CID 21666130

423-66-5

Structural Information

Molecular Formula
C13HF27
SMILES
C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13HF27/c14-1(15)2(16,17)3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)40/h1H
InChIKey
SARRNFIJRWNPDT-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-heptacosafluorotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

151
Patents

669.9647 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.971976 192.0
[M+Na]+ 692.953918 196.0
[M-H]- 668.957424 202.2
[M+NH4]+ 687.998523 203.7
[M+K]+ 708.927858 209.9
[M+H-H2O]+ 652.961960 179.9
[M+HCOO]- 714.962901 208.3
[M+CH3COO]- 728.978551 259.9
[M+Na-2H]- 690.939366 194.4
[M]+ 669.96415142 189.0
[M]- 669.96524858 189.0
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