CID 155822404

1,1-difluoro-2-methyl-3-(oxiran-2-yl)propan-2-ol

Structural Information

Molecular Formula
C6H10F2O2
SMILES
CC(CC1CO1)(C(F)F)O
InChI
InChI=1S/C6H10F2O2/c1-6(9,5(7)8)2-4-3-10-4/h4-5,9H,2-3H2,1H3
InChIKey
XBUXTPXUWMLVPO-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-methyl-3-(oxiran-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.06488 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.072156 124.6
[M+Na]+ 175.054098 133.5
[M-H]- 151.057604 126.2
[M+NH4]+ 170.098703 139.0
[M+K]+ 191.028038 132.9
[M+H-H2O]+ 135.062140 117.6
[M+HCOO]- 197.063081 142.3
[M+CH3COO]- 211.078731 177.0
[M+Na-2H]- 173.039546 131.4
[M]+ 152.06433142 125.3
[M]- 152.06542858 125.3
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.