CID 43197752

1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine

Structural Information

Molecular Formula
C11H15F2N
SMILES
CC(C)(C)C(C1=C(C=C(C=C1)F)F)N
InChI
InChI=1S/C11H15F2N/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3
InChIKey
OJOBBVRPQDBLPE-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

199.11725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12453 142.7
[M+Na]+ 222.10647 150.7
[M-H]- 198.10997 143.7
[M+NH4]+ 217.15107 162.1
[M+K]+ 238.08041 148.0
[M+H-H2O]+ 182.11451 135.8
[M+HCOO]- 244.11545 162.3
[M+CH3COO]- 258.13110 189.8
[M+Na-2H]- 220.09192 145.9
[M]+ 199.11670 138.8
[M]- 199.11780 138.8
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

patents stripe