CID 773053

326609-39-6

Structural Information

Molecular Formula
C11H12FNO5S
SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H12FNO5S/c12-10-2-1-8(7-9(10)11(14)15)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKey
YCAZLVRLLIGVAA-UHFFFAOYSA-N
Compound name
2-fluoro-5-morpholin-4-ylsulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

289.04202 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04930 158.2
[M+Na]+ 312.03124 165.0
[M-H]- 288.03474 161.4
[M+NH4]+ 307.07584 170.4
[M+K]+ 328.00518 163.0
[M+H-H2O]+ 272.03928 150.4
[M+HCOO]- 334.04022 168.7
[M+CH3COO]- 348.05587 192.6
[M+Na-2H]- 310.01669 160.7
[M]+ 289.04147 157.2
[M]- 289.04257 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