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

19342
Patents

135.99475 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.002026 116.0
[M+Na]+ 158.983968 125.5
[M-H]- 134.987474 109.3
[M+NH4]+ 154.028573 137.0
[M+K]+ 174.957908 124.7
[M+H-H2O]+ 118.992010 109.0
[M+HCOO]- 180.992951 131.4
[M+CH3COO]- 195.008601 168.8
[M+Na-2H]- 156.969416 123.1
[M]+ 135.99420142 107.7
[M]- 135.99529858 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

literature stripe

Patent stripe

patents stripe