CID 61286523

2247106-47-2

Structural Information

Molecular Formula
C5H9ClF3N
SMILES
CN(CCCl)CC(F)(F)F
InChI
InChI=1S/C5H9ClF3N/c1-10(3-2-6)4-5(7,8)9/h2-4H2,1H3
InChIKey
OIPBPIXBDBZGPY-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2,2,2-trifluoro-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.03757 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04485 130.4
[M+Na]+ 198.02679 138.7
[M-H]- 174.03029 128.3
[M+NH4]+ 193.07139 152.0
[M+K]+ 214.00073 137.0
[M+H-H2O]+ 158.03483 124.2
[M+HCOO]- 220.03577 146.8
[M+CH3COO]- 234.05142 184.4
[M+Na-2H]- 196.01224 136.0
[M]+ 175.03702 129.3
[M]- 175.03812 129.3
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

No patent data available for this compound.