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]+ 200.12453 143.7
[M+Na]+ 222.10647 148.9
[M-H]- 198.10997 144.0
[M+NH4]+ 217.15107 162.3
[M+K]+ 238.08041 146.5
[M+H-H2O]+ 182.11451 135.5
[M+HCOO]- 244.11545 164.4
[M+CH3COO]- 258.13110 189.4
[M+Na-2H]- 220.09192 147.3
[M]+ 199.11670 139.9
[M]- 199.11780 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.