CID 2774936

2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propan-1-ol

Structural Information

Molecular Formula
C6H3F11O2
SMILES
C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
InChI
InChI=1S/C6H3F11O2/c7-2(1-18,4(10,11)12)19-6(16,17)3(8,9)5(13,14)15/h18H,1H2
InChIKey
MSOLHCPBFWYOSH-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

524
Patents

315.99573 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.00301 154.8
[M+Na]+ 338.98495 164.1
[M-H]- 314.98845 141.4
[M+NH4]+ 334.02955 167.9
[M+K]+ 354.95889 161.7
[M+H-H2O]+ 298.99299 143.1
[M+HCOO]- 360.99393 158.1
[M+CH3COO]- 375.00958 202.2
[M+Na-2H]- 336.97040 159.3
[M]+ 315.99518 138.6
[M]- 315.99628 138.6
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