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

148
Patents

669.9647 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.97198 192.0
[M+Na]+ 692.95392 196.0
[M-H]- 668.95742 202.2
[M+NH4]+ 687.99852 203.7
[M+K]+ 708.92786 209.9
[M+H-H2O]+ 652.96196 179.9
[M+HCOO]- 714.96290 208.3
[M+CH3COO]- 728.97855 259.9
[M+Na-2H]- 690.93937 194.4
[M]+ 669.96415 189.0
[M]- 669.96525 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