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

12
Patents

261.9663 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.97358 143.2
[M+Na]+ 284.95552 154.4
[M-H]- 260.95902 152.0
[M+NH4]+ 280.00012 166.0
[M+K]+ 300.92946 144.5
[M+H-H2O]+ 244.96356 145.4
[M+HCOO]- 306.96450 157.3
[M+CH3COO]- 320.98015 158.2
[M+Na-2H]- 282.94097 148.4
[M]+ 261.96575 161.0
[M]- 261.96685 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