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]+ 202.10381 141.3
[M+Na]+ 224.08575 149.8
[M-H]- 200.08925 142.3
[M+NH4]+ 219.13035 160.5
[M+K]+ 240.05969 147.3
[M+H-H2O]+ 184.09379 134.1
[M+HCOO]- 246.09473 162.4
[M+CH3COO]- 260.11038 188.6
[M+Na-2H]- 222.07120 146.2
[M]+ 201.09598 139.1
[M]- 201.09708 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.