CID 3032341

N-phenylmethanethioamide

Structural Information

Molecular Formula
C7H7NS
SMILES
C1=CC=C(C=C1)NC=S
InChI
InChI=1S/C7H7NS/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKey
UNRRVOATHRPYDX-UHFFFAOYSA-N
Compound name
N-phenylmethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

5639
Patents

137.02992 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03720 123.7
[M+Na]+ 160.01914 131.8
[M-H]- 136.02264 127.7
[M+NH4]+ 155.06374 145.7
[M+K]+ 175.99308 128.6
[M+H-H2O]+ 120.02718 118.2
[M+HCOO]- 182.02812 144.8
[M+CH3COO]- 196.04377 173.1
[M+Na-2H]- 158.00459 129.9
[M]+ 137.02937 123.6
[M]- 137.03047 123.6
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

No patent data available for this compound.