CID 9533

Bis(2-chloroethyl)amine

Structural Information

Molecular Formula
C4H9Cl2N
SMILES
C(CCl)NCCCl
InChI
InChI=1S/C4H9Cl2N/c5-1-3-7-4-2-6/h7H,1-4H2
InChIKey
TXFLGZOGNOOEFZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

46
References

7900
Patents

141.0112 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.018476 126.1
[M+Na]+ 164.000418 134.2
[M-H]- 140.003924 125.6
[M+NH4]+ 159.045023 148.6
[M+K]+ 179.974358 130.6
[M+H-H2O]+ 124.008460 123.4
[M+HCOO]- 186.009401 141.7
[M+CH3COO]- 200.025051 174.9
[M+Na-2H]- 161.985866 133.1
[M]+ 141.01065142 128.2
[M]- 141.01174858 128.2
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