CID 50988668

3-[4-(trifluoromethyl)phenyl]cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1C(CC1N)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-7(2-4-9)8-5-10(15)6-8/h1-4,8,10H,5-6,15H2
InChIKey
ZUSHQSYFWIQVNY-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 144.7
[M+Na]+ 238.08140 151.5
[M-H]- 214.08490 147.2
[M+NH4]+ 233.12600 156.6
[M+K]+ 254.05534 150.8
[M+H-H2O]+ 198.08944 131.0
[M+HCOO]- 260.09038 162.5
[M+CH3COO]- 274.10603 192.9
[M+Na-2H]- 236.06685 148.0
[M]+ 215.09163 146.2
[M]- 215.09273 146.2
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

patents stripe