CID 13378

Dtxsid101007337

Structural Information

Molecular Formula
C4H9ClFN
SMILES
C(CF)NCCCl
InChI
InChI=1S/C4H9ClFN/c5-1-3-7-4-2-6/h7H,1-4H2
InChIKey
ZSMBQQOVUWZPDN-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-fluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

125.04076 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.04804 121.5
[M+Na]+ 148.02998 129.4
[M-H]- 124.03348 120.4
[M+NH4]+ 143.07458 144.4
[M+K]+ 164.00392 127.1
[M+H-H2O]+ 108.03802 117.1
[M+HCOO]- 170.03896 141.3
[M+CH3COO]- 184.05461 172.6
[M+Na-2H]- 146.01543 128.9
[M]+ 125.04021 121.8
[M]- 125.04131 121.8
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