CID 62537272

[(3-chloro-4-fluorophenyl)methyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C11H15ClFN
SMILES
CC(C)CNCC1=CC(=C(C=C1)F)Cl
InChI
InChI=1S/C11H15ClFN/c1-8(2)6-14-7-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKey
RXEBMVYOULIMHC-UHFFFAOYSA-N
Compound name
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0877 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09498 145.8
[M+Na]+ 238.07692 154.0
[M-H]- 214.08042 148.0
[M+NH4]+ 233.12152 165.5
[M+K]+ 254.05086 149.5
[M+H-H2O]+ 198.08496 139.9
[M+HCOO]- 260.08590 164.1
[M+CH3COO]- 274.10155 191.8
[M+Na-2H]- 236.06237 149.5
[M]+ 215.08715 146.7
[M]- 215.08825 146.7
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.