CID 2763211

5198-86-7

Structural Information

Molecular Formula
C4H4BrNOS
SMILES
C1=C(N=C(S1)Br)CO
InChI
InChI=1S/C4H4BrNOS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
InChIKey
FRPHIGOLOLSXAI-UHFFFAOYSA-N
Compound name
(2-bromo-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

192.9197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.92698 122.7
[M+Na]+ 215.90892 136.9
[M-H]- 191.91242 127.7
[M+NH4]+ 210.95352 146.8
[M+K]+ 231.88286 126.0
[M+H-H2O]+ 175.91696 123.9
[M+HCOO]- 237.91790 140.1
[M+CH3COO]- 251.93355 174.5
[M+Na-2H]- 213.89437 128.5
[M]+ 192.91915 142.9
[M]- 192.92025 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe