CID 22450978

4-ethoxy-2,3-difluoroaniline

Structural Information

Molecular Formula
C8H9F2NO
SMILES
CCOC1=C(C(=C(C=C1)N)F)F
InChI
InChI=1S/C8H9F2NO/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4H,2,11H2,1H3
InChIKey
HQGQPBARTOHEJX-UHFFFAOYSA-N
Compound name
4-ethoxy-2,3-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

173.06522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.072496 131.3
[M+Na]+ 196.054438 141.2
[M-H]- 172.057944 132.8
[M+NH4]+ 191.099043 151.8
[M+K]+ 212.028378 138.8
[M+H-H2O]+ 156.062480 124.2
[M+HCOO]- 218.063421 154.7
[M+CH3COO]- 232.079071 183.4
[M+Na-2H]- 194.039886 136.0
[M]+ 173.06467142 129.4
[M]- 173.06576858 129.4
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