CID 2759276

1,1,2,2,2-pentafluoroethanol

Structural Information

Molecular Formula
C2HF5O
SMILES
C(C(F)(F)F)(O)(F)F
InChI
InChI=1S/C2HF5O/c3-1(4,5)2(6,7)8/h8H
InChIKey
NNZZMYIWZFZLHU-UHFFFAOYSA-N
Compound name
1,1,2,2,2-pentafluoroethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19336
Patents

135.99475 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.00203 116.0
[M+Na]+ 158.98397 125.5
[M-H]- 134.98747 109.3
[M+NH4]+ 154.02857 137.0
[M+K]+ 174.95791 124.7
[M+H-H2O]+ 118.99201 109.0
[M+HCOO]- 180.99295 131.4
[M+CH3COO]- 195.00860 168.8
[M+Na-2H]- 156.96942 123.1
[M]+ 135.99420 107.7
[M]- 135.99530 107.7
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.