CID 67913

2,2,3,3,3-pentafluoropropane-1,1-diol

Structural Information

Molecular Formula
C3H3F5O2
SMILES
C(C(C(F)(F)F)(F)F)(O)O
InChI
InChI=1S/C3H3F5O2/c4-2(5,1(9)10)3(6,7)8/h1,9-10H
InChIKey
BQAOCAJBGDDVSL-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5
Patents

166.00533 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.01261 123.9
[M+Na]+ 188.99455 132.3
[M-H]- 164.99805 115.6
[M+NH4]+ 184.03915 142.9
[M+K]+ 204.96849 131.1
[M+H-H2O]+ 149.00259 116.8
[M+HCOO]- 211.00353 136.7
[M+CH3COO]- 225.01918 171.9
[M+Na-2H]- 186.98000 128.8
[M]+ 166.00478 114.8
[M]- 166.00588 114.8
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