CID 45090681

2,5-difluoro-4-methoxyaniline

Structural Information

Molecular Formula
C7H7F2NO
SMILES
COC1=C(C=C(C(=C1)F)N)F
InChI
InChI=1S/C7H7F2NO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,10H2,1H3
InChIKey
XAQBYYZISMYWAO-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe