CID 69514065

2,5-dichloro-4-sulfanylphenol

Structural Information

Molecular Formula
C6H4Cl2OS
SMILES
C1=C(C(=CC(=C1Cl)S)Cl)O
InChI
InChI=1S/C6H4Cl2OS/c7-3-2-6(10)4(8)1-5(3)9/h1-2,9-10H
InChIKey
OHUUSTKHUOTGPS-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.93599 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.94327 129.1
[M+Na]+ 216.92521 141.0
[M-H]- 192.92871 132.4
[M+NH4]+ 211.96981 150.6
[M+K]+ 232.89915 135.5
[M+H-H2O]+ 176.93325 126.9
[M+HCOO]- 238.93419 138.5
[M+CH3COO]- 252.94984 177.7
[M+Na-2H]- 214.91066 132.1
[M]+ 193.93544 133.5
[M]- 193.93654 133.5
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