CID 2737500

(2-fluorophenyl)thiourea

Structural Information

Molecular Formula
C7H7FN2S
SMILES
C1=CC=C(C(=C1)NC(=S)N)F
InChI
InChI=1S/C7H7FN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
WYVZQQOFMQRNPF-UHFFFAOYSA-N
Compound name
(2-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

214
Patents

170.0314 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03868 130.7
[M+Na]+ 193.02062 138.4
[M-H]- 169.02412 132.9
[M+NH4]+ 188.06522 150.8
[M+K]+ 208.99456 134.7
[M+H-H2O]+ 153.02866 123.9
[M+HCOO]- 215.02960 149.9
[M+CH3COO]- 229.04525 181.2
[M+Na-2H]- 191.00607 133.9
[M]+ 170.03085 127.3
[M]- 170.03195 127.3
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