CID 16228931

(4-bromo-2-fluorophenyl)thiourea

Structural Information

Molecular Formula
C7H6BrFN2S
SMILES
C1=CC(=C(C=C1Br)F)NC(=S)N
InChI
InChI=1S/C7H6BrFN2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
GOWRWGYTXLKMHG-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.94191 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.94919 135.0
[M+Na]+ 270.93113 146.8
[M-H]- 246.93463 140.0
[M+NH4]+ 265.97573 155.8
[M+K]+ 286.90507 133.3
[M+H-H2O]+ 230.93917 133.4
[M+HCOO]- 292.94011 151.9
[M+CH3COO]- 306.95576 192.3
[M+Na-2H]- 268.91658 139.2
[M]+ 247.94136 150.6
[M]- 247.94246 150.6
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.