CID 16227034

841275-78-3

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO3S/c1-7-5-9-6-10(17(12,15)16)3-4-11(9)13(7)8(2)14/h3-4,6-7H,5H2,1-2H3
InChIKey
VMIKNPLJAZXOOM-UHFFFAOYSA-N
Compound name
1-acetyl-2-methyl-2,3-dihydroindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

273.02264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02992 157.5
[M+Na]+ 296.01186 168.7
[M-H]- 272.01536 161.9
[M+NH4]+ 291.05646 177.5
[M+K]+ 311.98580 164.3
[M+H-H2O]+ 256.01990 153.6
[M+HCOO]- 318.02084 168.3
[M+CH3COO]- 332.03649 192.9
[M+Na-2H]- 293.99731 158.9
[M]+ 273.02209 163.4
[M]- 273.02319 163.4
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

patents stripe