CID 17750766

4,5-difluoro-2-methoxybenzylamine

Structural Information

Molecular Formula
C8H9F2NO
SMILES
COC1=CC(=C(C=C1CN)F)F
InChI
InChI=1S/C8H9F2NO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,4,11H2,1H3
InChIKey
LZSNRJCSFRPZSW-UHFFFAOYSA-N
Compound name
(4,5-difluoro-2-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

173.06522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07250 134.7
[M+Na]+ 196.05444 145.6
[M+NH4]+ 191.09904 141.9
[M+K]+ 212.02838 139.7
[M-H]- 172.05794 134.5
[M+Na-2H]- 194.03989 140.0
[M]+ 173.06467 135.9
[M]- 173.06577 135.9
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