CID 14595701

(5-bromofuran-2-yl)methanol

Structural Information

Molecular Formula
C5H5BrO2
SMILES
C1=C(OC(=C1)Br)CO
InChI
InChI=1S/C5H5BrO2/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
InChIKey
CFLMVPYEVZXIED-UHFFFAOYSA-N
Compound name
(5-bromofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

175.9473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.95458 128.1
[M+Na]+ 198.93652 140.8
[M-H]- 174.94002 134.2
[M+NH4]+ 193.98112 151.8
[M+K]+ 214.91046 131.9
[M+H-H2O]+ 158.94456 129.3
[M+HCOO]- 220.94550 150.1
[M+CH3COO]- 234.96115 173.0
[M+Na-2H]- 196.92197 136.7
[M]+ 175.94675 147.6
[M]- 175.94785 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe