CID 132585883

N-(2-bromo-5-methoxybenzyl)-n-(trifluoromethyl)propan-1-amine

Structural Information

Molecular Formula
C12H15BrF3NO
SMILES
CCCN(CC1=C(C=CC(=C1)OC)Br)C(F)(F)F
InChI
InChI=1S/C12H15BrF3NO/c1-3-6-17(12(14,15)16)8-9-7-10(18-2)4-5-11(9)13/h4-5,7H,3,6,8H2,1-2H3
InChIKey
VOSOYYDYUTYLEB-UHFFFAOYSA-N
Compound name
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(trifluoromethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0289 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.03618 168.0
[M+Na]+ 348.01812 178.8
[M-H]- 324.02162 171.7
[M+NH4]+ 343.06272 186.6
[M+K]+ 363.99206 167.6
[M+H-H2O]+ 308.02616 164.5
[M+HCOO]- 370.02710 185.9
[M+CH3COO]- 384.04275 209.5
[M+Na-2H]- 346.00357 171.9
[M]+ 325.02835 185.8
[M]- 325.02945 185.8
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

No patent data available for this compound.