CID 75481789

1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H9F4N
SMILES
C1CC1(C2=CC(=CC(=C2)F)C(F)(F)F)N
InChI
InChI=1S/C10H9F4N/c11-8-4-6(9(15)1-2-9)3-7(5-8)10(12,13)14/h3-5H,1-2,15H2
InChIKey
XHXNGZBBSMZQII-UHFFFAOYSA-N
Compound name
1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.06711 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07439 133.7
[M+Na]+ 242.05633 144.7
[M-H]- 218.05983 136.5
[M+NH4]+ 237.10093 149.1
[M+K]+ 258.03027 140.9
[M+H-H2O]+ 202.06437 125.2
[M+HCOO]- 264.06531 152.9
[M+CH3COO]- 278.08096 192.5
[M+Na-2H]- 240.04178 139.7
[M]+ 219.06656 129.6
[M]- 219.06766 129.6
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