CID 2760121

83508-62-7

Structural Information

Molecular Formula
C9H7ClF3NS
SMILES
CN(C1=CC=CC(=C1)C(F)(F)F)C(=S)Cl
InChI
InChI=1S/C9H7ClF3NS/c1-14(8(10)15)7-4-2-3-6(5-7)9(11,12)13/h2-5H,1H3
InChIKey
VOXCSWSUZAYCOQ-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-(trifluoromethyl)phenyl]carbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.99399 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00127 145.0
[M+Na]+ 275.98321 154.0
[M-H]- 251.98671 146.5
[M+NH4]+ 271.02781 164.0
[M+K]+ 291.95715 149.5
[M+H-H2O]+ 235.99125 137.5
[M+HCOO]- 297.99219 155.6
[M+CH3COO]- 312.00784 195.5
[M+Na-2H]- 273.96866 146.4
[M]+ 252.99344 144.6
[M]- 252.99454 144.6
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.