CID 23498117

3-fluoro-4-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H12FNO2
SMILES
COCCOC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C9H12FNO2/c1-12-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKey
GOQSFGSVUBLEDE-UHFFFAOYSA-N
Compound name
3-fluoro-4-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

185.0852 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09248 137.8
[M+Na]+ 208.07442 149.0
[M+NH4]+ 203.11902 145.3
[M+K]+ 224.04836 143.0
[M-H]- 184.07792 138.7
[M+Na-2H]- 206.05987 143.6
[M]+ 185.08465 139.4
[M]- 185.08575 139.4
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