CID 13567824

1,1,1,2,2,3,3,4,4-nonafluorohexadecane

Structural Information

Molecular Formula
C16H25F9
SMILES
CCCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H25F9/c1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)15(21,22)16(23,24)25/h2-12H2,1H3
InChIKey
PEUFNQDFGAXIBO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

388.18124 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18852 189.3
[M+Na]+ 411.17046 194.6
[M-H]- 387.17396 177.2
[M+NH4]+ 406.21506 200.6
[M+K]+ 427.14440 189.9
[M+H-H2O]+ 371.17850 176.8
[M+HCOO]- 433.17944 193.9
[M+CH3COO]- 447.19509 223.8
[M+Na-2H]- 409.15591 188.7
[M]+ 388.18069 179.6
[M]- 388.18179 179.6
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