CID 10511003

1025936-09-7

Structural Information

Molecular Formula
C4H4ClNOS
SMILES
C1=NC(=C(S1)CO)Cl
InChI
InChI=1S/C4H4ClNOS/c5-4-3(1-7)8-2-6-4/h2,7H,1H2
InChIKey
WDLVJAZZCVERQM-UHFFFAOYSA-N
Compound name
(4-chloro-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

148.97021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.977486 124.0
[M+Na]+ 171.959428 135.1
[M-H]- 147.962934 126.0
[M+NH4]+ 167.004033 146.9
[M+K]+ 187.933368 131.6
[M+H-H2O]+ 131.967470 119.9
[M+HCOO]- 193.968411 138.5
[M+CH3COO]- 207.984061 167.3
[M+Na-2H]- 169.944876 127.2
[M]+ 148.96966142 127.2
[M]- 148.97075858 127.2
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