CID 60727761

(4-chloro-2-fluorophenyl)thiourea

Structural Information

Molecular Formula
C7H6ClFN2S
SMILES
C1=CC(=C(C=C1Cl)F)NC(=S)N
InChI
InChI=1S/C7H6ClFN2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
KDVKVMLGEXQVIC-UHFFFAOYSA-N
Compound name
(4-chloro-2-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.99243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99971 136.6
[M+Na]+ 226.98165 145.9
[M-H]- 202.98515 139.1
[M+NH4]+ 222.02625 156.6
[M+K]+ 242.95559 140.3
[M+H-H2O]+ 186.98969 131.1
[M+HCOO]- 248.99063 151.3
[M+CH3COO]- 263.00628 186.2
[M+Na-2H]- 224.96710 138.7
[M]+ 203.99188 135.6
[M]- 203.99298 135.6
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.