CID 2735825

3-chlorothiophene-2-carbaldehyde

Structural Information

Molecular Formula
C5H3ClOS
SMILES
C1=CSC(=C1Cl)C=O
InChI
InChI=1S/C5H3ClOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKey
PJOJWMNHMJFFCR-UHFFFAOYSA-N
Compound name
3-chlorothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

145.95932 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.96660 125.3
[M+Na]+ 168.94854 138.1
[M+NH4]+ 163.99314 135.5
[M+K]+ 184.92248 130.9
[M-H]- 144.95204 127.4
[M+Na-2H]- 166.93399 131.3
[M]+ 145.95877 128.5
[M]- 145.95987 128.5
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