CID 78998519

1344911-72-3

Structural Information

Molecular Formula
C6H7BrOS
SMILES
C[C@H](C1=CC(=CS1)Br)O
InChI
InChI=1S/C6H7BrOS/c1-4(8)6-2-5(7)3-9-6/h2-4,8H,1H3/t4-/m1/s1
InChIKey
DPTFBIIZOCHASS-SCSAIBSYSA-N
Compound name
(1R)-1-(4-bromothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.9401 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94738 128.0
[M+Na]+ 228.92932 129.8
[M+NH4]+ 223.97392 133.8
[M+K]+ 244.90326 130.8
[M-H]- 204.93282 128.1
[M+Na-2H]- 226.91477 130.4
[M]+ 205.93955 127.4
[M]- 205.94065 127.4
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.