CID 308772

2-[4-(fluorosulfonyl)phenyl]acetic acid

Structural Information

Molecular Formula
C8H7FO4S
SMILES
C1=CC(=CC=C1CC(=O)O)S(=O)(=O)F
InChI
InChI=1S/C8H7FO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
VARMWPGASRMINF-UHFFFAOYSA-N
Compound name
2-(4-fluorosulfonylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.00491 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01219 139.8
[M+Na]+ 240.99413 148.7
[M-H]- 216.99763 141.4
[M+NH4]+ 236.03873 157.9
[M+K]+ 256.96807 145.8
[M+H-H2O]+ 201.00217 133.8
[M+HCOO]- 263.00311 155.7
[M+CH3COO]- 277.01876 180.2
[M+Na-2H]- 238.97958 143.4
[M]+ 218.00436 141.4
[M]- 218.00546 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe