CID 2783137

3,5-difluoro-4-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

159.04958 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.056856 126.6
[M+Na]+ 182.038798 136.9
[M-H]- 158.042304 128.2
[M+NH4]+ 177.083403 147.7
[M+K]+ 198.012738 134.8
[M+H-H2O]+ 142.046840 119.7
[M+HCOO]- 204.047781 150.3
[M+CH3COO]- 218.063431 180.3
[M+Na-2H]- 180.024246 131.8
[M]+ 159.04903142 124.3
[M]- 159.05012858 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe