CID 4962036

2-chloro-1-(1-methanesulfonyl-2-methyl-2,3-dihydro-1h-indol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C12H14ClNO3S
SMILES
CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CCl
InChI
InChI=1S/C12H14ClNO3S/c1-8-5-10-6-9(12(15)7-13)3-4-11(10)14(8)18(2,16)17/h3-4,6,8H,5,7H2,1-2H3
InChIKey
XMQKAOPPPSIZOK-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0383 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04558 162.8
[M+Na]+ 310.02752 174.2
[M+NH4]+ 305.07212 170.3
[M+K]+ 326.00146 168.5
[M-H]- 286.03102 162.5
[M+Na-2H]- 308.01297 165.5
[M]+ 287.03775 165.0
[M]- 287.03885 165.0
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.