CID 23106138

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

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC1(CC2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-8(2-4-9)7-10(15)5-6-10/h1-4H,5-7,15H2
InChIKey
NDTYOBBFEXGTHD-UHFFFAOYSA-N
Compound name
1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

215.09218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 136.9
[M+Na]+ 238.08140 146.6
[M-H]- 214.08490 140.5
[M+NH4]+ 233.12600 152.2
[M+K]+ 254.05534 143.1
[M+H-H2O]+ 198.08944 129.0
[M+HCOO]- 260.09038 156.9
[M+CH3COO]- 274.10603 191.6
[M+Na-2H]- 236.06685 143.5
[M]+ 215.09163 133.9
[M]- 215.09273 133.9
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