CID 81700

7283-96-7

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1270
Patents

145.95932 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe