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]+ 148.05686 120.9
[M+Na]+ 170.03880 130.7
[M-H]- 146.04230 122.2
[M+NH4]+ 165.08340 137.6
[M+K]+ 186.01274 131.8
[M+H-H2O]+ 130.04684 106.9
[M+HCOO]- 192.04778 137.2
[M+CH3COO]- 206.06343 188.0
[M+Na-2H]- 168.02425 128.0
[M]+ 147.04903 121.2
[M]- 147.05013 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.