CID 86661942

2,2-difluoro-3-methoxypropan-1-ol

Structural Information

Molecular Formula
C4H8F2O2
SMILES
COCC(CO)(F)F
InChI
InChI=1S/C4H8F2O2/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3
InChIKey
CVPCFINYDBWLCG-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

126.04923 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.056506 121.0
[M+Na]+ 149.038448 129.1
[M-H]- 125.041954 117.7
[M+NH4]+ 144.083053 142.7
[M+K]+ 165.012388 129.0
[M+H-H2O]+ 109.046490 115.7
[M+HCOO]- 171.047431 140.8
[M+CH3COO]- 185.063081 168.2
[M+Na-2H]- 147.023896 128.2
[M]+ 126.04868142 119.6
[M]- 126.04977858 119.6
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