CID 19797640

3-[3-(trifluoromethyl)phenyl]propan-1-amine

Structural Information

Molecular Formula
C10H12F3N
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CCCN
InChI
InChI=1S/C10H12F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,2,4,6,14H2
InChIKey
JMTLMFBJIQWJPW-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

203.09218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09946 141.2
[M+Na]+ 226.08140 149.0
[M-H]- 202.08490 140.5
[M+NH4]+ 221.12600 160.0
[M+K]+ 242.05534 145.5
[M+H-H2O]+ 186.08944 133.0
[M+HCOO]- 248.09038 161.1
[M+CH3COO]- 262.10603 187.6
[M+Na-2H]- 224.06685 146.2
[M]+ 203.09163 135.9
[M]- 203.09273 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe