CID 2759123

10254-60-1

Structural Information

Molecular Formula
C8H7ClFNS
SMILES
CN(C1=CC=C(C=C1)F)C(=S)Cl
InChI
InChI=1S/C8H7ClFNS/c1-11(8(9)12)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKey
DTMFOGPAZSLXPA-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-N-methylcarbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.99718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00446 136.2
[M+Na]+ 225.98640 145.1
[M-H]- 201.98990 140.4
[M+NH4]+ 221.03100 157.2
[M+K]+ 241.96034 141.4
[M+H-H2O]+ 185.99444 130.4
[M+HCOO]- 247.99538 150.7
[M+CH3COO]- 262.01103 187.4
[M+Na-2H]- 223.97185 138.4
[M]+ 202.99663 138.2
[M]- 202.99773 138.2
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.