CID 18938072

(2-chlorothiophen-3-yl)methanol

Structural Information

Molecular Formula
C5H5ClOS
SMILES
C1=CSC(=C1CO)Cl
InChI
InChI=1S/C5H5ClOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2
InChIKey
FESBOVOYXJZFOX-UHFFFAOYSA-N
Compound name
(2-chlorothiophen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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 125.6
[M+Na]+ 170.96418 137.8
[M+NH4]+ 166.00878 135.7
[M+K]+ 186.93812 131.0
[M-H]- 146.96768 127.4
[M+Na-2H]- 168.94963 131.1
[M]+ 147.97441 128.6
[M]- 147.97551 128.6
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