CID 142576463

(2-cyclopropyl-2,2-difluoroethyl)thiourea

Structural Information

Molecular Formula
C6H10F2N2S
SMILES
C1CC1C(CNC(=S)N)(F)F
InChI
InChI=1S/C6H10F2N2S/c7-6(8,4-1-2-4)3-10-5(9)11/h4H,1-3H2,(H3,9,10,11)
InChIKey
DSPIPTDUNUCBDB-UHFFFAOYSA-N
Compound name
(2-cyclopropyl-2,2-difluoroethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

180.05327 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06055 125.1
[M+Na]+ 203.04249 132.7
[M-H]- 179.04599 126.5
[M+NH4]+ 198.08709 139.8
[M+K]+ 219.01643 128.9
[M+H-H2O]+ 163.05053 117.3
[M+HCOO]- 225.05147 141.1
[M+CH3COO]- 239.06712 186.5
[M+Na-2H]- 201.02794 128.2
[M]+ 180.05272 123.0
[M]- 180.05382 123.0
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

patents stripe