CID 2752551

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanenitrile

Structural Information

Molecular Formula
C13H4F21N
SMILES
C(CC(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)C#N
InChI
InChI=1S/C13H4F21N/c14-4(15,2-1-3-35)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H2
InChIKey
FZCXKUMBLKTHGQ-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

573.00085 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.00813 190.1
[M+Na]+ 595.99007 195.7
[M-H]- 571.99357 198.4
[M+NH4]+ 591.03467 199.9
[M+K]+ 611.96401 205.6
[M+H-H2O]+ 555.99811 179.6
[M+HCOO]- 617.99905 208.0
[M+CH3COO]- 632.01470 253.3
[M+Na-2H]- 593.97552 191.7
[M]+ 573.00030 188.3
[M]- 573.00140 188.3
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