CID 46735153

3-(trifluoromethyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C4H6F3NO
SMILES
C1C(CN1)(C(F)(F)F)O
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)3(9)1-8-2-3/h8-9H,1-2H2
InChIKey
MTIONBCSUYRIEM-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

620
Patents

141.04015 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04743 126.6
[M+Na]+ 164.02937 133.6
[M-H]- 140.03287 122.8
[M+NH4]+ 159.07397 140.9
[M+K]+ 180.00331 134.5
[M+H-H2O]+ 124.03741 115.8
[M+HCOO]- 186.03835 140.7
[M+CH3COO]- 200.05400 169.7
[M+Na-2H]- 162.01482 133.1
[M]+ 141.03960 127.3
[M]- 141.04070 127.3
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

patents stripe