CID 50986507

2-[4-(difluoromethoxy)phenyl]propan-2-amine

Structural Information

Molecular Formula
C10H13F2NO
SMILES
CC(C)(C1=CC=C(C=C1)OC(F)F)N
InChI
InChI=1S/C10H13F2NO/c1-10(2,13)7-3-5-8(6-4-7)14-9(11)12/h3-6,9H,13H2,1-2H3
InChIKey
ZIQRTADVNUAERV-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

201.09653 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.103806 141.7
[M+Na]+ 224.085748 149.0
[M-H]- 200.089254 142.4
[M+NH4]+ 219.130353 160.5
[M+K]+ 240.059688 147.0
[M+H-H2O]+ 184.093790 134.4
[M+HCOO]- 246.094731 161.9
[M+CH3COO]- 260.110381 188.3
[M+Na-2H]- 222.071196 146.1
[M]+ 201.09598142 138.5
[M]- 201.09707858 138.5
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