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]+ 127.05651 121.0
[M+Na]+ 149.03845 129.1
[M-H]- 125.04195 117.7
[M+NH4]+ 144.08305 142.7
[M+K]+ 165.01239 129.0
[M+H-H2O]+ 109.04649 115.7
[M+HCOO]- 171.04743 140.8
[M+CH3COO]- 185.06308 168.2
[M+Na-2H]- 147.02390 128.2
[M]+ 126.04868 119.6
[M]- 126.04978 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