CID 31980

23546-84-1

Structural Information

Molecular Formula
C3H4Cl3N
SMILES
C(CCl)N=C(Cl)Cl
InChI
InChI=1S/C3H4Cl3N/c4-1-2-7-3(5)6/h1-2H2
InChIKey
YWMGZMIHXMLQQU-UHFFFAOYSA-N
Compound name
1,1-dichloro-N-(2-chloroethyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.94093 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.94821 127.4
[M+Na]+ 181.93015 136.3
[M-H]- 157.93365 127.4
[M+NH4]+ 176.97475 149.5
[M+K]+ 197.90409 132.5
[M+H-H2O]+ 141.93819 125.4
[M+HCOO]- 203.93913 138.5
[M+CH3COO]- 217.95478 179.6
[M+Na-2H]- 179.91560 132.9
[M]+ 158.94038 129.4
[M]- 158.94148 129.4
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

No patent data available for this compound.