CID 3868145

4-fluoro-3-(morpholine-4-sulfonyl)aniline

Structural Information

Molecular Formula
C10H13FN2O3S
SMILES
C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)N)F
InChI
InChI=1S/C10H13FN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKey
SLZFZVSFWOAOAM-UHFFFAOYSA-N
Compound name
4-fluoro-3-morpholin-4-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.06308 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07036 153.5
[M+Na]+ 283.05230 160.8
[M-H]- 259.05580 157.6
[M+NH4]+ 278.09690 167.3
[M+K]+ 299.02624 158.1
[M+H-H2O]+ 243.06034 145.3
[M+HCOO]- 305.06128 166.5
[M+CH3COO]- 319.07693 191.9
[M+Na-2H]- 281.03775 156.9
[M]+ 260.06253 150.5
[M]- 260.06363 150.5
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