CID 135395278

2891599-54-3

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(CN1)(CO)C(F)F
InChI
InChI=1S/C5H9F2NO/c6-4(7)5(3-9)1-8-2-5/h4,8-9H,1-3H2
InChIKey
ZDJAWZWEDKDHIE-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)azetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.06522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 128.7
[M+Na]+ 160.054438 134.5
[M-H]- 136.057944 125.8
[M+NH4]+ 155.099043 143.0
[M+K]+ 176.028378 135.7
[M+H-H2O]+ 120.062480 117.9
[M+HCOO]- 182.063421 144.0
[M+CH3COO]- 196.079071 171.1
[M+Na-2H]- 158.039886 133.4
[M]+ 137.06467142 130.9
[M]- 137.06576858 130.9
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.