CID 167736038

3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H7F2NO
SMILES
C1C(CC1(F)F)(CO)C#N
InChI
InChI=1S/C6H7F2NO/c7-6(8)1-5(2-6,3-9)4-10/h10H,1-2,4H2
InChIKey
LBHPFCSDSGLLRH-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.04958 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.056856 120.9
[M+Na]+ 170.038798 130.7
[M-H]- 146.042304 122.2
[M+NH4]+ 165.083403 137.6
[M+K]+ 186.012738 131.8
[M+H-H2O]+ 130.046840 106.9
[M+HCOO]- 192.047781 137.2
[M+CH3COO]- 206.063431 188.0
[M+Na-2H]- 168.024246 128.0
[M]+ 147.04903142 121.2
[M]- 147.05012858 121.2
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.