CID 75481543

2,3,3-trimethyl-3h-indole-5-sulfonyl chloride

Structural Information

Molecular Formula
C11H12ClNO2S
SMILES
CC1=NC2=C(C1(C)C)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO2S/c1-7-11(2,3)9-6-8(16(12,14)15)4-5-10(9)13-7/h4-6H,1-3H3
InChIKey
VQSNLVAYNDFHID-UHFFFAOYSA-N
Compound name
2,3,3-trimethylindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.02774 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03502 152.3
[M+Na]+ 280.01696 165.6
[M-H]- 256.02046 157.1
[M+NH4]+ 275.06156 175.2
[M+K]+ 295.99090 160.7
[M+H-H2O]+ 240.02500 148.8
[M+HCOO]- 302.02594 165.1
[M+CH3COO]- 316.04159 190.7
[M+Na-2H]- 278.00241 156.9
[M]+ 257.02719 159.8
[M]- 257.02829 159.8
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