CID 69312534

(4-chlorothiophen-3-yl)methanol

Structural Information

Molecular Formula
C5H5ClOS
SMILES
C1=C(C(=CS1)Cl)CO
InChI
InChI=1S/C5H5ClOS/c6-5-3-8-2-4(5)1-7/h2-3,7H,1H2
InChIKey
BMINNRXCTLTCFD-UHFFFAOYSA-N
Compound name
(4-chlorothiophen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.97496 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe