CID 46737681

1017779-46-2

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C1=CC(=C(C=C1F)CN)OC(F)F
InChI
InChI=1S/C8H8F3NO/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8H,4,12H2
InChIKey
KZGCNFCITFWOCH-UHFFFAOYSA-N
Compound name
[2-(difluoromethoxy)-5-fluorophenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

191.0558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 140.1
[M+Na]+ 214.04502 149.0
[M+NH4]+ 209.08962 146.0
[M+K]+ 230.01896 143.8
[M-H]- 190.04852 138.0
[M+Na-2H]- 212.03047 144.2
[M]+ 191.05525 140.4
[M]- 191.05635 140.4
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