CID 16164

Dtxsid30942025

Structural Information

Molecular Formula
C4H9BrClN
SMILES
C(CCl)NCCBr
InChI
InChI=1S/C4H9BrClN/c5-1-3-7-4-2-6/h7H,1-4H2
InChIKey
KFVNKCRZAGIKQX-UHFFFAOYSA-N
Compound name
N-(2-bromoethyl)-2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.9607 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.96798 129.6
[M+Na]+ 207.94992 141.2
[M-H]- 183.95342 132.6
[M+NH4]+ 202.99452 153.5
[M+K]+ 223.92386 129.0
[M+H-H2O]+ 167.95796 130.9
[M+HCOO]- 229.95890 148.0
[M+CH3COO]- 243.97455 180.6
[M+Na-2H]- 205.93537 138.5
[M]+ 184.96015 149.1
[M]- 184.96125 149.1
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.