CID 58198

101198-10-1

Structural Information

Molecular Formula
C4H9BrFN
SMILES
C(CF)NCCBr
InChI
InChI=1S/C4H9BrFN/c5-1-3-7-4-2-6/h7H,1-4H2
InChIKey
WTIBOBXPBPSNDS-UHFFFAOYSA-N
Compound name
N-(2-bromoethyl)-2-fluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.99023 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.99751 127.8
[M+Na]+ 191.97945 138.4
[M-H]- 167.98295 129.6
[M+NH4]+ 187.02405 151.4
[M+K]+ 207.95339 128.1
[M+H-H2O]+ 151.98749 127.3
[M+HCOO]- 213.98843 149.5
[M+CH3COO]- 228.00408 179.5
[M+Na-2H]- 189.96490 136.4
[M]+ 168.98968 144.6
[M]- 168.99078 144.6
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.