CID 419147

33842-02-3

Structural Information

Molecular Formula
C3H6Cl2N
SMILES
C[N+](=C(Cl)Cl)C
InChI
InChI=1S/C3H6Cl2N/c1-6(2)3(4)5/h1-2H3/q+1
InChIKey
WILYSFGDCDXQIC-UHFFFAOYSA-N
Compound name
dichloromethylidene(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

741
Patents

125.98773 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.99501 118.4
[M+Na]+ 148.97695 127.1
[M-H]- 124.98045 119.9
[M+NH4]+ 144.02155 141.8
[M+K]+ 164.95089 120.0
[M+H-H2O]+ 108.98499 119.0
[M+HCOO]- 170.98593 134.0
[M+CH3COO]- 185.00158 168.0
[M+Na-2H]- 146.96240 126.2
[M]+ 125.98718 118.9
[M]- 125.98828 118.9
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