CID 22714302

62119-83-9

Structural Information

Molecular Formula
C7H9BrOS
SMILES
CC(C)(C1=CC=C(S1)Br)O
InChI
InChI=1S/C7H9BrOS/c1-7(2,9)5-3-4-6(8)10-5/h3-4,9H,1-2H3
InChIKey
NDHQIRSJBXYKBH-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

219.95575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.963026 136.0
[M+Na]+ 242.944968 149.2
[M-H]- 218.948474 142.0
[M+NH4]+ 237.989573 160.3
[M+K]+ 258.918908 137.9
[M+H-H2O]+ 202.953010 137.7
[M+HCOO]- 264.953951 152.0
[M+CH3COO]- 278.969601 180.8
[M+Na-2H]- 240.930416 140.8
[M]+ 219.95520142 156.2
[M]- 219.95629858 156.2
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