CID 59355817

(4,5-dibromothiophen-2-yl)methanol

Structural Information

Molecular Formula
C5H4Br2OS
SMILES
C1=C(SC(=C1Br)Br)CO
InChI
InChI=1S/C5H4Br2OS/c6-4-1-3(2-8)9-5(4)7/h1,8H,2H2
InChIKey
PEJZUWKPHCZNOX-UHFFFAOYSA-N
Compound name
(4,5-dibromothiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.83496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.84224 125.6
[M+Na]+ 292.82418 139.2
[M-H]- 268.82768 132.6
[M+NH4]+ 287.86878 147.8
[M+K]+ 308.79812 123.3
[M+H-H2O]+ 252.83222 134.8
[M+HCOO]- 314.83316 139.2
[M+CH3COO]- 328.84881 195.1
[M+Na-2H]- 290.80963 131.2
[M]+ 269.83441 160.9
[M]- 269.83551 160.9
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