CID 45791786

1-carbamoyl-2,3-dihydro-1h-indole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C9H9FN2O3S
SMILES
C1CN(C2=C1C=C(C=C2)S(=O)(=O)F)C(=O)N
InChI
InChI=1S/C9H9FN2O3S/c10-16(14,15)7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)
InChIKey
OSKJQBVEDIRLHR-UHFFFAOYSA-N
Compound name
1-carbamoyl-2,3-dihydroindole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03178 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.039056 148.7
[M+Na]+ 267.020998 158.3
[M-H]- 243.024504 150.7
[M+NH4]+ 262.065603 167.8
[M+K]+ 282.994938 155.0
[M+H-H2O]+ 227.029040 142.6
[M+HCOO]- 289.029981 163.9
[M+CH3COO]- 303.045631 189.0
[M+Na-2H]- 265.006446 151.2
[M]+ 244.03123142 148.7
[M]- 244.03232858 148.7
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.