CID 2535057

697229-51-9

Structural Information

Molecular Formula
C11H14FNO4S
SMILES
CN(CCCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H14FNO4S/c1-13(8-2-3-11(14)15)18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKey
HUXSPZKUXFYJSS-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.06274 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07002 157.0
[M+Na]+ 298.05196 163.6
[M-H]- 274.05546 159.2
[M+NH4]+ 293.09656 172.9
[M+K]+ 314.02590 161.3
[M+H-H2O]+ 258.06000 149.6
[M+HCOO]- 320.06094 173.2
[M+CH3COO]- 334.07659 197.6
[M+Na-2H]- 296.03741 158.9
[M]+ 275.06219 160.0
[M]- 275.06329 160.0
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.