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]+ 138.07250 128.7
[M+Na]+ 160.05444 134.5
[M-H]- 136.05794 125.8
[M+NH4]+ 155.09904 143.0
[M+K]+ 176.02838 135.7
[M+H-H2O]+ 120.06248 117.9
[M+HCOO]- 182.06342 144.0
[M+CH3COO]- 196.07907 171.1
[M+Na-2H]- 158.03989 133.4
[M]+ 137.06467 130.9
[M]- 137.06577 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.