CID 145668

3029-67-2

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

5
Patents

188.95149 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.95877 128.7
[M+Na]+ 211.94071 138.3
[M-H]- 187.94421 128.7
[M+NH4]+ 206.98531 142.7
[M+K]+ 227.91465 133.4
[M+H-H2O]+ 171.94875 124.9
[M+HCOO]- 233.94969 134.0
[M+CH3COO]- 247.96534 180.3
[M+Na-2H]- 209.92616 134.0
[M]+ 188.95094 131.1
[M]- 188.95204 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