CID 28485478

1020962-86-0

Structural Information

Molecular Formula
C10H13F2N
SMILES
CC(C)CNC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C10H13F2N/c1-7(2)6-13-10-4-8(11)3-9(12)5-10/h3-5,7,13H,6H2,1-2H3
InChIKey
WBTLKGWDDCTEPR-UHFFFAOYSA-N
Compound name
3,5-difluoro-N-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.10161 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.108886 137.7
[M+Na]+ 208.090828 145.5
[M-H]- 184.094334 138.9
[M+NH4]+ 203.135433 157.6
[M+K]+ 224.064768 142.9
[M+H-H2O]+ 168.098870 130.1
[M+HCOO]- 230.099811 159.8
[M+CH3COO]- 244.115461 187.8
[M+Na-2H]- 206.076276 141.8
[M]+ 185.10106142 135.0
[M]- 185.10215858 135.0
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.