CID 45208

Bis-(beta-chloroethyl)chloroamine

Structural Information

Molecular Formula
C4H8Cl3N
SMILES
C(CCl)N(CCCl)Cl
InChI
InChI=1S/C4H8Cl3N/c5-1-3-8(7)4-2-6/h1-4H2
InChIKey
HEMZNEGKTOHOHW-UHFFFAOYSA-N
Compound name
N,2-dichloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

174.97223 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.97951 132.7
[M+Na]+ 197.96145 140.9
[M-H]- 173.96495 132.4
[M+NH4]+ 193.00605 154.2
[M+K]+ 213.93539 137.3
[M+H-H2O]+ 157.96949 130.3
[M+HCOO]- 219.97043 143.3
[M+CH3COO]- 233.98608 184.0
[M+Na-2H]- 195.94690 137.7
[M]+ 174.97168 135.8
[M]- 174.97278 135.8
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