CID 145668

Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-

Structural Information

Molecular Formula
C4H6Cl3NO
SMILES
C1CN1C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C4H6Cl3NO/c5-4(6,7)3(9)8-1-2-8/h3,9H,1-2H2
InChIKey
SIWVVQVQIQEIOK-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-2,2,2-trichloroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.95149 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.958766 128.7
[M+Na]+ 211.940708 138.3
[M-H]- 187.944214 128.7
[M+NH4]+ 206.985313 142.7
[M+K]+ 227.914648 133.4
[M+H-H2O]+ 171.948750 124.9
[M+HCOO]- 233.949691 134.0
[M+CH3COO]- 247.965341 180.3
[M+Na-2H]- 209.926156 134.0
[M]+ 188.95094142 131.1
[M]- 188.95203858 131.1
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

patents stripe