CID 139023981

2-ethyl-3,3-difluorobutan-1-ol

Structural Information

Molecular Formula
C6H12F2O
SMILES
CCC(CO)C(C)(F)F
InChI
InChI=1S/C6H12F2O/c1-3-5(4-9)6(2,7)8/h5,9H,3-4H2,1-2H3
InChIKey
UTHXFVGWLVGGCV-UHFFFAOYSA-N
Compound name
2-ethyl-3,3-difluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.08562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09290 127.4
[M+Na]+ 161.07484 134.5
[M-H]- 137.07834 123.8
[M+NH4]+ 156.11944 148.6
[M+K]+ 177.04878 133.8
[M+H-H2O]+ 121.08288 122.0
[M+HCOO]- 183.08382 145.3
[M+CH3COO]- 197.09947 173.2
[M+Na-2H]- 159.06029 132.2
[M]+ 138.08507 124.5
[M]- 138.08617 124.5
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.