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]+ 208.00743 137.2
[M+Na]+ 229.98937 147.8
[M-H]- 205.99287 138.1
[M+NH4]+ 225.03397 156.6
[M+K]+ 245.96331 145.7
[M+H-H2O]+ 189.99741 131.6
[M+HCOO]- 251.99835 153.2
[M+CH3COO]- 266.01400 178.0
[M+Na-2H]- 227.97482 138.8
[M]+ 206.99960 139.8
[M]- 207.00070 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.