CID 19882801

2,4-difluoro-5-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 126.6
[M+Na]+ 182.03880 136.9
[M-H]- 158.04230 128.2
[M+NH4]+ 177.08340 147.7
[M+K]+ 198.01274 134.8
[M+H-H2O]+ 142.04684 119.7
[M+HCOO]- 204.04778 150.3
[M+CH3COO]- 218.06343 180.3
[M+Na-2H]- 180.02425 131.8
[M]+ 159.04903 124.3
[M]- 159.05013 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