CID 57008463

5-chloro-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C3H2ClNOS
SMILES
C1=C(SC(=O)N1)Cl
InChI
InChI=1S/C3H2ClNOS/c4-2-1-5-3(6)7-2/h1H,(H,5,6)
InChIKey
UCPVBSNRCDEVKD-UHFFFAOYSA-N
Compound name
5-chloro-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

134.95456 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.96184 119.4
[M+Na]+ 157.94378 131.1
[M-H]- 133.94728 121.6
[M+NH4]+ 152.98838 142.8
[M+K]+ 173.91772 127.3
[M+H-H2O]+ 117.95182 115.5
[M+HCOO]- 179.95276 134.3
[M+CH3COO]- 193.96841 163.5
[M+Na-2H]- 155.92923 123.0
[M]+ 134.95401 121.5
[M]- 134.95511 121.5
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