CID 12967648

Benzyl(3,3,3-trifluoropropyl)amine

Structural Information

Molecular Formula
C10H12F3N
SMILES
C1=CC=C(C=C1)CNCCC(F)(F)F
InChI
InChI=1S/C10H12F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKey
ABZBPAZWTDQHLE-UHFFFAOYSA-N
Compound name
N-benzyl-3,3,3-trifluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

203.09218 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09946 140.9
[M+Na]+ 226.08140 147.7
[M-H]- 202.08490 140.2
[M+NH4]+ 221.12600 159.6
[M+K]+ 242.05534 144.5
[M+H-H2O]+ 186.08944 132.4
[M+HCOO]- 248.09038 161.4
[M+CH3COO]- 262.10603 187.2
[M+Na-2H]- 224.06685 147.6
[M]+ 203.09163 136.3
[M]- 203.09273 136.3
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