CID 12554178

(5-chlorothiophen-2-yl)methanol

Structural Information

Molecular Formula
C5H5ClOS
SMILES
C1=C(SC(=C1)Cl)CO
InChI
InChI=1S/C5H5ClOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
InChIKey
WMKPGPCVKFXIHD-UHFFFAOYSA-N
Compound name
(5-chlorothiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

147.97496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.98224 125.1
[M+Na]+ 170.96418 135.7
[M-H]- 146.96768 128.4
[M+NH4]+ 166.00878 149.3
[M+K]+ 186.93812 131.9
[M+H-H2O]+ 130.97222 121.8
[M+HCOO]- 192.97316 140.5
[M+CH3COO]- 206.98881 167.7
[M+Na-2H]- 168.94963 127.9
[M]+ 147.97441 128.2
[M]- 147.97551 128.2
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