CID 13567825

1,1,1,2,2,3,3-heptafluoropentadecane

Structural Information

Molecular Formula
C15H25F7
SMILES
CCCCCCCCCCCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H25F7/c1-2-3-4-5-6-7-8-9-10-11-12-13(16,17)14(18,19)15(20,21)22/h2-12H2,1H3
InChIKey
USNIVSXISHIFBJ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoropentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

338.18445 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19173 179.2
[M+Na]+ 361.17367 184.4
[M-H]- 337.17717 169.3
[M+NH4]+ 356.21827 192.8
[M+K]+ 377.14761 180.2
[M+H-H2O]+ 321.18171 168.2
[M+HCOO]- 383.18265 187.8
[M+CH3COO]- 397.19830 214.8
[M+Na-2H]- 359.15912 179.4
[M]+ 338.18390 172.8
[M]- 338.18500 172.8
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