CID 3008031

2-dimethylaminoethyl n-[(4-fluorophenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C12H17FN2S2
SMILES
CN(C)CCSC(=S)NCC1=CC=C(C=C1)F
InChI
InChI=1S/C12H17FN2S2/c1-15(2)7-8-17-12(16)14-9-10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKey
KRZQKQXTFLZNAI-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[(4-fluorophenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.08173 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08901 157.3
[M+Na]+ 295.07095 162.8
[M-H]- 271.07445 159.9
[M+NH4]+ 290.11555 174.2
[M+K]+ 311.04489 157.9
[M+H-H2O]+ 255.07899 148.9
[M+HCOO]- 317.07993 169.7
[M+CH3COO]- 331.09558 204.2
[M+Na-2H]- 293.05640 156.5
[M]+ 272.08118 158.5
[M]- 272.08228 158.5
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

No patent data available for this compound.