CID 16227697

3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C10H8F3N
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C#CCN
InChI
InChI=1S/C10H8F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,6,14H2
InChIKey
DSWJTEWSTNBRHW-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.06088 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06816 140.4
[M+Na]+ 222.05010 150.4
[M-H]- 198.05360 138.5
[M+NH4]+ 217.09470 157.1
[M+K]+ 238.02404 145.6
[M+H-H2O]+ 182.05814 126.6
[M+HCOO]- 244.05908 154.9
[M+CH3COO]- 258.07473 192.4
[M+Na-2H]- 220.03555 144.3
[M]+ 199.06033 129.3
[M]- 199.06143 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.