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

278
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

No literature data available for this compound.

Patent stripe

patents stripe