CID 98454538

1,3-bis(1h,1h-heptafluorobutoxy)propan-2-ol

Structural Information

Molecular Formula
C11H10F14O3
SMILES
C(C(COCC(C(C(F)(F)F)(F)F)(F)F)O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H10F14O3/c12-6(13,8(16,17)10(20,21)22)3-27-1-5(26)2-28-4-7(14,15)9(18,19)11(23,24)25/h5,26H,1-4H2
InChIKey
VLFHADDJTCJDHD-UHFFFAOYSA-N
Compound name
1,3-bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

456.04065 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.04793 175.6
[M+Na]+ 479.02987 175.4
[M+NH4]+ 474.07447 174.7
[M+K]+ 495.00381 174.7
[M-H]- 455.03337 171.8
[M+Na-2H]- 477.01532 174.2
[M]+ 456.04010 174.3
[M]- 456.04120 174.3
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