CID 72218215

2,2-difluoro-2-(3-methoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H11F2NO
SMILES
COC1=CC=CC(=C1)C(CN)(F)F
InChI
InChI=1S/C9H11F2NO/c1-13-8-4-2-3-7(5-8)9(10,11)6-12/h2-5H,6,12H2,1H3
InChIKey
FANXSHUKJALBIL-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

187.08087 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08815 136.9
[M+Na]+ 210.07009 144.9
[M-H]- 186.07359 137.7
[M+NH4]+ 205.11469 156.3
[M+K]+ 226.04403 142.6
[M+H-H2O]+ 170.07813 129.6
[M+HCOO]- 232.07907 158.4
[M+CH3COO]- 246.09472 184.4
[M+Na-2H]- 208.05554 143.1
[M]+ 187.08032 134.0
[M]- 187.08142 134.0
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

patents stripe