CID 3032341

N-phenylthioformamide

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

5611
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

literature stripe

Patent stripe

patents stripe