CID 65634469

(5-bromo-2-methylthiophen-3-yl)methanol

Structural Information

Molecular Formula
C6H7BrOS
SMILES
CC1=C(C=C(S1)Br)CO
InChI
InChI=1S/C6H7BrOS/c1-4-5(3-8)2-6(7)9-4/h2,8H,3H2,1H3
InChIKey
YEWRUALNCORVHA-UHFFFAOYSA-N
Compound name
(5-bromo-2-methylthiophen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

205.9401 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94738 128.9
[M+Na]+ 228.92932 131.3
[M+NH4]+ 223.97392 134.8
[M+K]+ 244.90326 131.7
[M-H]- 204.93282 129.2
[M+Na-2H]- 226.91477 131.3
[M]+ 205.93955 128.5
[M]- 205.94065 128.5
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