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

62
Patents

219.95575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96303 136.0
[M+Na]+ 242.94497 149.2
[M-H]- 218.94847 142.0
[M+NH4]+ 237.98957 160.3
[M+K]+ 258.91891 137.9
[M+H-H2O]+ 202.95301 137.7
[M+HCOO]- 264.95395 152.0
[M+CH3COO]- 278.96960 180.8
[M+Na-2H]- 240.93042 140.8
[M]+ 219.95520 156.2
[M]- 219.95630 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