CID 20242118

17514-68-0

Structural Information

Molecular Formula
C9H7ClS
SMILES
CC1=CSC2=C1C=CC=C2Cl
InChI
InChI=1S/C9H7ClS/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3
InChIKey
PIURQZBTTSWWOY-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

181.9957 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00298 132.7
[M+Na]+ 204.98492 148.6
[M+NH4]+ 200.02952 144.6
[M+K]+ 220.95886 139.4
[M-H]- 180.98842 137.0
[M+Na-2H]- 202.97037 140.7
[M]+ 181.99515 137.2
[M]- 181.99625 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe