CID 71755845

4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C9H6ClFO2S2
SMILES
CC1=C(SC2=CC=CC(=C12)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClFO2S2/c1-5-8-6(11)3-2-4-7(8)14-9(5)15(10,12)13/h2-4H,1H3
InChIKey
PFSFVTHIMQSVTE-UHFFFAOYSA-N
Compound name
4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.94818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95546 149.3
[M+Na]+ 286.93740 163.5
[M-H]- 262.94090 154.4
[M+NH4]+ 281.98200 171.4
[M+K]+ 302.91134 157.2
[M+H-H2O]+ 246.94544 145.6
[M+HCOO]- 308.94638 158.9
[M+CH3COO]- 322.96203 189.7
[M+Na-2H]- 284.92285 151.9
[M]+ 263.94763 156.6
[M]- 263.94873 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