CID 79217

2,3-dichloro-1-benzothiophene

Structural Information

Molecular Formula
C8H4Cl2S
SMILES
C1=CC=C2C(=C1)C(=C(S2)Cl)Cl
InChI
InChI=1S/C8H4Cl2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChIKey
ACKJNFZJNNOLCP-UHFFFAOYSA-N
Compound name
2,3-dichloro-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

201.94107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.94835 135.1
[M+Na]+ 224.93029 148.9
[M-H]- 200.93379 140.7
[M+NH4]+ 219.97489 159.8
[M+K]+ 240.90423 142.8
[M+H-H2O]+ 184.93833 132.5
[M+HCOO]- 246.93927 147.3
[M+CH3COO]- 260.95492 150.4
[M+Na-2H]- 222.91574 139.5
[M]+ 201.94052 141.7
[M]- 201.94162 141.7
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