CID 126971616

1-(4-amino-2,6-difluorophenyl)azetidin-3-ol

Structural Information

Molecular Formula
C9H10F2N2O
SMILES
C1C(CN1C2=C(C=C(C=C2F)N)F)O
InChI
InChI=1S/C9H10F2N2O/c10-7-1-5(12)2-8(11)9(7)13-3-6(14)4-13/h1-2,6,14H,3-4,12H2
InChIKey
QWMWFLZJDPMILH-UHFFFAOYSA-N
Compound name
1-(4-amino-2,6-difluorophenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07613 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08341 141.5
[M+Na]+ 223.06535 149.5
[M-H]- 199.06885 143.1
[M+NH4]+ 218.10995 152.3
[M+K]+ 239.03929 149.0
[M+H-H2O]+ 183.07339 127.7
[M+HCOO]- 245.07433 159.8
[M+CH3COO]- 259.08998 189.1
[M+Na-2H]- 221.05080 143.7
[M]+ 200.07558 144.7
[M]- 200.07668 144.7
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.