CID 10375112

2,4-dichloro-5-thiazolemethanol

Structural Information

Molecular Formula
C4H3Cl2NOS
SMILES
C(C1=C(N=C(S1)Cl)Cl)O
InChI
InChI=1S/C4H3Cl2NOS/c5-3-2(1-8)9-4(6)7-3/h8H,1H2
InChIKey
DGNCUHDHEDTUSH-UHFFFAOYSA-N
Compound name
(2,4-dichloro-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

182.93124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.93852 129.8
[M+Na]+ 205.92046 141.7
[M-H]- 181.92396 131.5
[M+NH4]+ 200.96506 151.8
[M+K]+ 221.89440 136.9
[M+H-H2O]+ 165.92850 126.5
[M+HCOO]- 227.92944 139.0
[M+CH3COO]- 241.94509 173.3
[M+Na-2H]- 203.90591 131.5
[M]+ 182.93069 133.8
[M]- 182.93179 133.8
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