CID 683252

311785-51-0

Structural Information

Molecular Formula
C12H14FNO4S
SMILES
C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F
InChI
InChI=1S/C12H14FNO4S/c13-10-5-4-9(12(15)16)8-11(10)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKey
MOVTXEIZLBYCGT-UHFFFAOYSA-N
Compound name
4-fluoro-3-piperidin-1-ylsulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

287.06274 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07002 159.9
[M+Na]+ 310.05196 166.2
[M-H]- 286.05546 162.2
[M+NH4]+ 305.09656 173.5
[M+K]+ 326.02590 162.4
[M+H-H2O]+ 270.06000 152.1
[M+HCOO]- 332.06094 170.4
[M+CH3COO]- 346.07659 193.1
[M+Na-2H]- 308.03741 160.9
[M]+ 287.06219 157.2
[M]- 287.06329 157.2
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