CID 12245919

2-chlorothiophene-3-carbaldehyde

Structural Information

Molecular Formula
C5H3ClOS
SMILES
C1=CSC(=C1C=O)Cl
InChI
InChI=1S/C5H3ClOS/c6-5-4(3-7)1-2-8-5/h1-3H
InChIKey
UFRQDLJDTSUKCS-UHFFFAOYSA-N
Compound name
2-chlorothiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

145.95932 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.966596 124.1
[M+Na]+ 168.948538 135.4
[M-H]- 144.952044 128.9
[M+NH4]+ 163.993143 149.0
[M+K]+ 184.922478 132.0
[M+H-H2O]+ 128.956580 120.6
[M+HCOO]- 190.957521 141.2
[M+CH3COO]- 204.973171 169.5
[M+Na-2H]- 166.933986 127.3
[M]+ 145.95877142 128.3
[M]- 145.95986858 128.3
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