CID 145913823

4-(fluorosulfonyl)-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C6H6FNO4S
SMILES
CN1C=C(C=C1C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C6H6FNO4S/c1-8-3-4(13(7,11)12)2-5(8)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey
LFCRHVWPXJOUDB-UHFFFAOYSA-N
Compound name
4-fluorosulfonyl-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.00015 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.007426 137.2
[M+Na]+ 229.989368 147.8
[M-H]- 205.992874 138.1
[M+NH4]+ 225.033973 156.6
[M+K]+ 245.963308 145.7
[M+H-H2O]+ 189.997410 131.6
[M+HCOO]- 251.998351 153.2
[M+CH3COO]- 266.014001 178.0
[M+Na-2H]- 227.974816 138.8
[M]+ 206.99960142 139.8
[M]- 207.00069858 139.8
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

No patent data available for this compound.