CID 162396606

2,2,3,4,4-pentafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)butanoic acid

Structural Information

Molecular Formula
C7H2F12O3
SMILES
C(C(C(=O)O)(F)F)(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H2F12O3/c8-1(3(9,10)2(20)21)4(11,12)22-7(18,19)5(13,14)6(15,16)17/h1H,(H,20,21)
InChIKey
VLTNENIFDMDOLE-UHFFFAOYSA-N
Compound name
2,2,3,4,4-pentafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

361.98123 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.98851 160.6
[M+Na]+ 384.97045 169.2
[M-H]- 360.97395 146.0
[M+NH4]+ 380.01505 151.2
[M+K]+ 400.94439 167.2
[M+H-H2O]+ 344.97849 148.1
[M+HCOO]- 406.97943 160.5
[M+CH3COO]- 420.99508 210.9
[M+Na-2H]- 382.95590 162.4
[M]+ 361.98068 142.9
[M]- 361.98178 142.9
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

No patent data available for this compound.