CID 2778731

4-(1,3-dioxolan-2-yl)benzene-1-carbothioamide

Structural Information

Molecular Formula
C10H11NO2S
SMILES
C1COC(O1)C2=CC=C(C=C2)C(=S)N
InChI
InChI=1S/C10H11NO2S/c11-9(14)7-1-3-8(4-2-7)10-12-5-6-13-10/h1-4,10H,5-6H2,(H2,11,14)
InChIKey
HIAHUZPFVWVKOR-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

209.05106 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.058336 145.1
[M+Na]+ 232.040278 152.1
[M-H]- 208.043784 152.8
[M+NH4]+ 227.084883 163.0
[M+K]+ 248.014218 151.2
[M+H-H2O]+ 192.048320 139.4
[M+HCOO]- 254.049261 162.0
[M+CH3COO]- 268.064911 184.0
[M+Na-2H]- 230.025726 147.0
[M]+ 209.05051142 144.5
[M]- 209.05160858 144.5
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