CID 80502431

Akos019066636

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.10161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10889 137.9
[M+Na]+ 208.09083 146.5
[M-H]- 184.09433 138.9
[M+NH4]+ 203.13543 157.8
[M+K]+ 224.06477 143.5
[M+H-H2O]+ 168.09887 131.0
[M+HCOO]- 230.09981 158.8
[M+CH3COO]- 244.11546 186.6
[M+Na-2H]- 206.07628 142.8
[M]+ 185.10106 134.3
[M]- 185.10216 134.3
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.