CID 121207603

(2,2-difluoro-3,3-dimethylcyclopropyl)methanol

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC1(C(C1(F)F)CO)C
InChI
InChI=1S/C6H10F2O/c1-5(2)4(3-9)6(5,7)8/h4,9H,3H2,1-2H3
InChIKey
ATLLUQOQTZGXPK-UHFFFAOYSA-N
Compound name
(2,2-difluoro-3,3-dimethylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 120.0
[M+Na]+ 159.059198 131.8
[M-H]- 135.062704 122.2
[M+NH4]+ 154.103803 140.7
[M+K]+ 175.033138 130.8
[M+H-H2O]+ 119.067240 116.0
[M+HCOO]- 181.068181 140.1
[M+CH3COO]- 195.083831 175.7
[M+Na-2H]- 157.044646 127.4
[M]+ 136.06943142 121.5
[M]- 136.07052858 121.5
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.