CID 135394769

2231675-94-6

Structural Information

Molecular Formula
C4H7BrFN
SMILES
C1C(CN1)(CBr)F
InChI
InChI=1S/C4H7BrFN/c5-1-4(6)2-7-3-4/h7H,1-3H2
InChIKey
XTKCDRFPYXLCJF-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-fluoroazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.9746 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.98188 119.1
[M+Na]+ 189.96382 129.6
[M-H]- 165.96732 121.9
[M+NH4]+ 185.00842 137.1
[M+K]+ 205.93776 122.1
[M+H-H2O]+ 149.97186 115.8
[M+HCOO]- 211.97280 136.4
[M+CH3COO]- 225.98845 176.2
[M+Na-2H]- 187.94927 128.6
[M]+ 166.97405 141.2
[M]- 166.97515 141.2
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.