CID 140207

2,3-dichlorothiophene

Structural Information

Molecular Formula
C4H2Cl2S
SMILES
C1=CSC(=C1Cl)Cl
InChI
InChI=1S/C4H2Cl2S/c5-3-1-2-7-4(3)6/h1-2H
InChIKey
LVNVLQIXMBTMPH-UHFFFAOYSA-N
Compound name
2,3-dichlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1039
Patents

151.92543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.93271 123.9
[M+Na]+ 174.91465 135.6
[M-H]- 150.91815 128.1
[M+NH4]+ 169.95925 148.9
[M+K]+ 190.88859 131.2
[M+H-H2O]+ 134.92269 121.3
[M+HCOO]- 196.92363 135.7
[M+CH3COO]- 210.93928 170.6
[M+Na-2H]- 172.90010 126.7
[M]+ 151.92488 127.7
[M]- 151.92598 127.7
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