CID 79978234

1-(4-cyclopropylphenyl)-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC1C2=CC=C(C=C2)C(C(F)(F)F)N
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10(15)9-5-3-8(4-6-9)7-1-2-7/h3-7,10H,1-2,15H2
InChIKey
HDRPIUWJHWRYOU-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylphenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 135.2
[M+Na]+ 238.081398 143.9
[M-H]- 214.084904 138.5
[M+NH4]+ 233.126003 148.6
[M+K]+ 254.055338 139.9
[M+H-H2O]+ 198.089440 126.4
[M+HCOO]- 260.090381 154.6
[M+CH3COO]- 274.106031 192.8
[M+Na-2H]- 236.066846 139.8
[M]+ 215.09163142 131.2
[M]- 215.09272858 131.2
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.