CID 80605112

(1,1-difluoro-4-phenylbutan-2-yl)(methyl)amine hydrochloride

Structural Information

Molecular Formula
C11H15F2N
SMILES
CNC(CCC1=CC=CC=C1)C(F)F
InChI
InChI=1S/C11H15F2N/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3
InChIKey
FJVXBUJMBPHYDV-UHFFFAOYSA-N
Compound name
1,1-difluoro-N-methyl-4-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11725 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.124526 143.7
[M+Na]+ 222.106468 148.9
[M-H]- 198.109974 144.0
[M+NH4]+ 217.151073 162.3
[M+K]+ 238.080408 146.5
[M+H-H2O]+ 182.114510 135.5
[M+HCOO]- 244.115451 164.4
[M+CH3COO]- 258.131101 189.4
[M+Na-2H]- 220.091916 147.3
[M]+ 199.11670142 139.9
[M]- 199.11779858 139.9
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.