CID 20112223

3,5-difluoro-2-methoxyaniline

Structural Information

Molecular Formula
C7H7F2NO
SMILES
COC1=C(C=C(C=C1F)F)N
InChI
InChI=1S/C7H7F2NO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,10H2,1H3
InChIKey
LJLOVRRJQKWWIU-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

159.04958 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05686 130.2
[M+Na]+ 182.03880 141.4
[M+NH4]+ 177.08340 137.6
[M+K]+ 198.01274 135.7
[M-H]- 158.04230 130.1
[M+Na-2H]- 180.02425 135.8
[M]+ 159.04903 131.5
[M]- 159.05013 131.5
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