CID 2795484

(4-bromo-2-thienyl)methanol

Structural Information

Molecular Formula
C5H5BrOS
SMILES
C1=C(SC=C1Br)CO
InChI
InChI=1S/C5H5BrOS/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2
InChIKey
PXZNJHHUYJRFPZ-UHFFFAOYSA-N
Compound name
(4-bromothiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

472
Patents

191.92445 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.931726 125.2
[M+Na]+ 214.913668 139.0
[M-H]- 190.917174 131.4
[M+NH4]+ 209.958273 150.5
[M+K]+ 230.887608 127.8
[M+H-H2O]+ 174.921710 126.8
[M+HCOO]- 236.922651 143.3
[M+CH3COO]- 250.938301 174.9
[M+Na-2H]- 212.899116 130.4
[M]+ 191.92390142 145.2
[M]- 191.92499858 145.2
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