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]+ 245.03906 148.7
[M+Na]+ 267.02100 158.3
[M-H]- 243.02450 150.7
[M+NH4]+ 262.06560 167.8
[M+K]+ 282.99494 155.0
[M+H-H2O]+ 227.02904 142.6
[M+HCOO]- 289.02998 163.9
[M+CH3COO]- 303.04563 189.0
[M+Na-2H]- 265.00645 151.2
[M]+ 244.03123 148.7
[M]- 244.03233 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.