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]+ 153.07216 124.6
[M+Na]+ 175.05410 133.5
[M-H]- 151.05760 126.2
[M+NH4]+ 170.09870 139.0
[M+K]+ 191.02804 132.9
[M+H-H2O]+ 135.06214 117.6
[M+HCOO]- 197.06308 142.3
[M+CH3COO]- 211.07873 177.0
[M+Na-2H]- 173.03955 131.4
[M]+ 152.06433 125.3
[M]- 152.06543 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.