CID 404592

791056-61-6

Structural Information

Molecular Formula
C5H13FNO
SMILES
C[N+](C)(CCO)CF
InChI
InChI=1S/C5H13FNO/c1-7(2,5-6)3-4-8/h8H,3-5H2,1-2H3/q+1
InChIKey
PBVFROWIWWGIFK-UHFFFAOYSA-N
Compound name
fluoromethyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

394
References

916
Patents

122.098114 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.10539 120.3
[M+Na]+ 145.08733 127.7
[M-H]- 121.09084 120.0
[M+NH4]+ 140.13194 142.7
[M+K]+ 161.06127 122.5
[M+H-H2O]+ 105.09537 118.5
[M+HCOO]- 167.09632 142.8
[M+CH3COO]- 181.11196 167.3
[M+Na-2H]- 143.07278 130.8
[M]+ 122.09757 118.5
[M]- 122.09866 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe