CID 53420453

1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CC1(C2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-9/h1-4H,5-6,14H2
InChIKey
RFWYCBTXBMMOBH-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

201.07654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083816 132.6
[M+Na]+ 224.065758 142.8
[M-H]- 200.069264 136.5
[M+NH4]+ 219.110363 148.5
[M+K]+ 240.039698 139.5
[M+H-H2O]+ 184.073800 124.9
[M+HCOO]- 246.074741 153.0
[M+CH3COO]- 260.090391 188.7
[M+Na-2H]- 222.051206 139.8
[M]+ 201.07599142 129.3
[M]- 201.07708858 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

patents stripe