CID 77988

2,2,2-trichloroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C2H4Cl3N
SMILES
C(C(Cl)(Cl)Cl)N
InChI
InChI=1S/C2H4Cl3N/c3-2(4,5)1-6/h1,6H2
InChIKey
FCLPGDSITYLYCH-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

556
Patents

146.94093 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.94821 125.2
[M+Na]+ 169.93015 134.5
[M-H]- 145.93365 123.8
[M+NH4]+ 164.97475 147.0
[M+K]+ 185.90409 130.1
[M+H-H2O]+ 129.93819 124.0
[M+HCOO]- 191.93913 133.8
[M+CH3COO]- 205.95478 173.8
[M+Na-2H]- 167.91560 131.3
[M]+ 146.94038 124.7
[M]- 146.94148 124.7
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