CID 18994427

4-(5-bromothiophen-2-yl)oxan-4-ol

Structural Information

Molecular Formula
C9H11BrO2S
SMILES
C1COCCC1(C2=CC=C(S2)Br)O
InChI
InChI=1S/C9H11BrO2S/c10-8-2-1-7(13-8)9(11)3-5-12-6-4-9/h1-2,11H,3-6H2
InChIKey
QCQYIXZZFCNASH-UHFFFAOYSA-N
Compound name
4-(5-bromothiophen-2-yl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

261.9663 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.973576 143.2
[M+Na]+ 284.955518 154.4
[M-H]- 260.959024 152.0
[M+NH4]+ 280.000123 166.0
[M+K]+ 300.929458 144.5
[M+H-H2O]+ 244.963560 145.4
[M+HCOO]- 306.964501 157.3
[M+CH3COO]- 320.980151 158.2
[M+Na-2H]- 282.940966 148.4
[M]+ 261.96575142 161.0
[M]- 261.96684858 161.0
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