CID 2774637

2-fluoro-5-(methylsulfonyl)aniline

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)F)N
InChI
InChI=1S/C7H8FNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
NUBPBOIRQMDMNG-UHFFFAOYSA-N
Compound name
2-fluoro-5-methylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

189.02597 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.033246 133.7
[M+Na]+ 212.015188 143.7
[M-H]- 188.018694 136.5
[M+NH4]+ 207.059793 153.7
[M+K]+ 227.989128 140.4
[M+H-H2O]+ 172.023230 127.6
[M+HCOO]- 234.024171 152.0
[M+CH3COO]- 248.039821 181.0
[M+Na-2H]- 210.000636 137.6
[M]+ 189.02542142 133.8
[M]- 189.02651858 133.8
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