CID 2783376

812-70-4

Structural Information

Molecular Formula
C10H5F15O2
SMILES
C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)
InChIKey
HLBRGVKRZQSQHB-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

58
Patents

442.005 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.01228 157.2
[M+Na]+ 464.99422 163.2
[M-H]- 440.99772 163.0
[M+NH4]+ 460.03882 165.1
[M+K]+ 480.96816 169.2
[M+H-H2O]+ 425.00226 168.3
[M+HCOO]- 487.00320 175.5
[M+CH3COO]- 501.01885 226.1
[M+Na-2H]- 462.97967 156.3
[M]+ 442.00445 155.5
[M]- 442.00555 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe