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 161.9
[M+Na]+ 310.02752 172.6
[M-H]- 286.03102 166.0
[M+NH4]+ 305.07212 181.2
[M+K]+ 326.00146 167.9
[M+H-H2O]+ 270.03556 157.7
[M+HCOO]- 332.03650 172.3
[M+CH3COO]- 346.05215 196.5
[M+Na-2H]- 308.01297 162.8
[M]+ 287.03775 168.2
[M]- 287.03885 168.2
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.