CID 45933744

4-oxa-6,6,7,7-tetrafluoroheptane-1,2-diol

Structural Information

Molecular Formula
C6H10F4O3
SMILES
C(C(COCC(C(F)F)(F)F)O)O
InChI
InChI=1S/C6H10F4O3/c7-5(8)6(9,10)3-13-2-4(12)1-11/h4-5,11-12H,1-3H2
InChIKey
LCNPYINHENVWOH-UHFFFAOYSA-N
Compound name
3-(2,2,3,3-tetrafluoropropoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

206.05661 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06389 138.6
[M+Na]+ 229.04583 145.0
[M-H]- 205.04933 130.8
[M+NH4]+ 224.09043 155.9
[M+K]+ 245.01977 144.0
[M+H-H2O]+ 189.05387 131.0
[M+HCOO]- 251.05481 152.3
[M+CH3COO]- 265.07046 181.0
[M+Na-2H]- 227.03128 140.5
[M]+ 206.05606 133.5
[M]- 206.05716 133.5
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