CID 83107974

2,2-difluoro-2-(3-methoxy-4-methylphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H13F2NO
SMILES
CC1=C(C=C(C=C1)C(CN)(F)F)OC
InChI
InChI=1S/C10H13F2NO/c1-7-3-4-8(5-9(7)14-2)10(11,12)6-13/h3-5H,6,13H2,1-2H3
InChIKey
FBBLKRZWAQJMHQ-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(3-methoxy-4-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09653 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.103806 141.3
[M+Na]+ 224.085748 149.8
[M-H]- 200.089254 142.3
[M+NH4]+ 219.130353 160.5
[M+K]+ 240.059688 147.3
[M+H-H2O]+ 184.093790 134.1
[M+HCOO]- 246.094731 162.4
[M+CH3COO]- 260.110381 188.6
[M+Na-2H]- 222.071196 146.2
[M]+ 201.09598142 139.2
[M]- 201.09707858 139.2
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.