CID 63597591

2,5-difluoro-4-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H11F2NO2
SMILES
COCCOC1=C(C=C(C(=C1)F)N)F
InChI
InChI=1S/C9H11F2NO2/c1-13-2-3-14-9-5-6(10)8(12)4-7(9)11/h4-5H,2-3,12H2,1H3
InChIKey
CLNPEVGAUGSTDS-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.083066 139.1
[M+Na]+ 226.065008 148.5
[M-H]- 202.068514 140.3
[M+NH4]+ 221.109613 158.3
[M+K]+ 242.038948 146.3
[M+H-H2O]+ 186.073050 131.5
[M+HCOO]- 248.073991 162.4
[M+CH3COO]- 262.089641 188.5
[M+Na-2H]- 224.050456 143.2
[M]+ 203.07524142 139.0
[M]- 203.07633858 139.0
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

No patent data available for this compound.