CID 12463482

Thiobenzaldehyde

Structural Information

Molecular Formula
C7H6S
SMILES
C1=CC=C(C=C1)C=S
InChI
InChI=1S/C7H6S/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey
ACOOSTZBTYEGER-UHFFFAOYSA-N
Compound name
thiobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6996
Patents

122.01902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02630 121.4
[M+Na]+ 145.00824 135.4
[M+NH4]+ 140.05284 132.1
[M+K]+ 160.98218 125.6
[M-H]- 121.01174 125.0
[M+Na-2H]- 142.99369 129.7
[M]+ 122.01847 125.0
[M]- 122.01957 125.0
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