CID 141388056

1694626-90-8

Structural Information

Molecular Formula
C5H4BrClOS
SMILES
C1=C(SC(=C1Cl)CO)Br
InChI
InChI=1S/C5H4BrClOS/c6-5-1-3(7)4(2-8)9-5/h1,8H,2H2
InChIKey
VUZGLAGNNBUPCC-UHFFFAOYSA-N
Compound name
(5-bromo-3-chlorothiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.88548 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.89276 130.0
[M+Na]+ 248.87470 145.4
[M-H]- 224.87820 136.5
[M+NH4]+ 243.91930 155.1
[M+K]+ 264.84864 132.2
[M+H-H2O]+ 208.88274 132.6
[M+HCOO]- 270.88368 143.6
[M+CH3COO]- 284.89933 179.6
[M+Na-2H]- 246.86015 134.3
[M]+ 225.88493 151.8
[M]- 225.88603 151.8
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

No patent data available for this compound.