CID 9115259

620116-39-4

Structural Information

Molecular Formula
C9H6Cl2S
SMILES
C1=CC=C2C(=C1)C(=C(S2)CCl)Cl
InChI
InChI=1S/C9H6Cl2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,5H2
InChIKey
ARJXIOJZPWAPOY-UHFFFAOYSA-N
Compound name
3-chloro-2-(chloromethyl)-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.95673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96401 139.8
[M+Na]+ 238.94595 153.1
[M-H]- 214.94945 145.2
[M+NH4]+ 233.99055 163.9
[M+K]+ 254.91989 146.8
[M+H-H2O]+ 198.95399 136.9
[M+HCOO]- 260.95493 151.6
[M+CH3COO]- 274.97058 154.6
[M+Na-2H]- 236.93140 143.6
[M]+ 215.95618 146.7
[M]- 215.95728 146.7
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