CID 55280294

7-methyl-1-benzothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClO2S2
SMILES
CC1=C2C(=CC=C1)C=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClO2S2/c1-6-3-2-4-7-5-8(13-9(6)7)14(10,11)12/h2-5H,1H3
InChIKey
RYEKOANXQGUODK-UHFFFAOYSA-N
Compound name
7-methyl-1-benzothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

245.9576 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96488 148.7
[M+Na]+ 268.94682 162.2
[M-H]- 244.95032 154.9
[M+NH4]+ 263.99142 171.3
[M+K]+ 284.92076 156.3
[M+H-H2O]+ 228.95486 145.7
[M+HCOO]- 290.95580 159.3
[M+CH3COO]- 304.97145 186.0
[M+Na-2H]- 266.93227 152.2
[M]+ 245.95705 156.6
[M]- 245.95815 156.6
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