CID 21878168

3,5-difluoro-4-(morpholin-4-yl)aniline

Structural Information

Molecular Formula
C10H12F2N2O
SMILES
C1COCCN1C2=C(C=C(C=C2F)N)F
InChI
InChI=1S/C10H12F2N2O/c11-8-5-7(13)6-9(12)10(8)14-1-3-15-4-2-14/h5-6H,1-4,13H2
InChIKey
YSZMSIBWWSWHEB-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-morpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

214.09177 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09905 145.6
[M+Na]+ 237.08099 153.1
[M-H]- 213.08449 148.4
[M+NH4]+ 232.12559 161.1
[M+K]+ 253.05493 150.6
[M+H-H2O]+ 197.08903 136.0
[M+HCOO]- 259.08997 163.2
[M+CH3COO]- 273.10562 188.7
[M+Na-2H]- 235.06644 149.4
[M]+ 214.09122 138.7
[M]- 214.09232 138.7
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