CID 22388014

(2,5-dichlorothiophen-3-yl)methanol

Structural Information

Molecular Formula
C5H4Cl2OS
SMILES
C1=C(SC(=C1CO)Cl)Cl
InChI
InChI=1S/C5H4Cl2OS/c6-4-1-3(2-8)5(7)9-4/h1,8H,2H2
InChIKey
WNXPLXBJUGEXTG-UHFFFAOYSA-N
Compound name
(2,5-dichlorothiophen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

181.93599 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.94327 131.0
[M+Na]+ 204.92521 142.6
[M-H]- 180.92871 134.0
[M+NH4]+ 199.96981 154.4
[M+K]+ 220.89915 137.4
[M+H-H2O]+ 164.93325 128.8
[M+HCOO]- 226.93419 141.2
[M+CH3COO]- 240.94984 173.8
[M+Na-2H]- 202.91066 132.4
[M]+ 181.93544 135.1
[M]- 181.93654 135.1
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