CID 61144

2,2,2-trichloroacetamide

Structural Information

Molecular Formula
C2H2Cl3NO
SMILES
C(=O)(C(Cl)(Cl)Cl)N
InChI
InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey
UPQQXPKAYZYUKO-UHFFFAOYSA-N
Compound name
2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

230
References

13026
Patents

160.9202 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.92748 125.7
[M+Na]+ 183.90942 135.1
[M-H]- 159.91292 124.6
[M+NH4]+ 178.95402 146.9
[M+K]+ 199.88336 131.0
[M+H-H2O]+ 143.91746 124.7
[M+HCOO]- 205.91840 134.0
[M+CH3COO]- 219.93405 175.5
[M+Na-2H]- 181.89487 130.9
[M]+ 160.91965 125.6
[M]- 160.92075 125.6
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