CID 12284899

5-chlorothiophene-3-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
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 124.1
[M+Na]+ 168.94854 135.4
[M-H]- 144.95204 128.9
[M+NH4]+ 163.99314 149.0
[M+K]+ 184.92248 132.0
[M+H-H2O]+ 128.95658 120.6
[M+HCOO]- 190.95752 141.2
[M+CH3COO]- 204.97317 169.5
[M+Na-2H]- 166.93399 127.3
[M]+ 145.95877 128.3
[M]- 145.95987 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