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

12
Patents

199.11725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.124526 142.7
[M+Na]+ 222.106468 150.7
[M-H]- 198.109974 143.7
[M+NH4]+ 217.151073 162.1
[M+K]+ 238.080408 148.0
[M+H-H2O]+ 182.114510 135.8
[M+HCOO]- 244.115451 162.3
[M+CH3COO]- 258.131101 189.8
[M+Na-2H]- 220.091916 145.9
[M]+ 199.11670142 138.8
[M]- 199.11779858 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