CID 714569

1,3-bis(2-fluorophenyl)-2-thiourea

Structural Information

Molecular Formula
C13H10F2N2S
SMILES
C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=C2F)F
InChI
InChI=1S/C13H10F2N2S/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
InChIKey
ZBMLHTDWAFZBDE-UHFFFAOYSA-N
Compound name
1,3-bis(2-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

32
Patents

264.05328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06056 153.3
[M+Na]+ 287.04250 161.1
[M-H]- 263.04600 157.6
[M+NH4]+ 282.08710 169.9
[M+K]+ 303.01644 155.0
[M+H-H2O]+ 247.05054 144.1
[M+HCOO]- 309.05148 171.8
[M+CH3COO]- 323.06713 198.9
[M+Na-2H]- 285.02795 156.2
[M]+ 264.05273 150.1
[M]- 264.05383 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe