CID 1489296

(4-fluoro-1h-indazol-7-yl)thiourea

Structural Information

Molecular Formula
C8H7FN4S
SMILES
C1=CC(=C2C=NNC2=C1NC(=S)N)F
InChI
InChI=1S/C8H7FN4S/c9-5-1-2-6(12-8(10)14)7-4(5)3-11-13-7/h1-3H,(H,11,13)(H3,10,12,14)
InChIKey
HZTXGAZDCCPCBP-UHFFFAOYSA-N
Compound name
(4-fluoro-1H-indazol-7-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03755 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04483 138.4
[M+Na]+ 233.02677 149.1
[M-H]- 209.03027 138.5
[M+NH4]+ 228.07137 157.1
[M+K]+ 249.00071 143.6
[M+H-H2O]+ 193.03481 131.3
[M+HCOO]- 255.03575 155.8
[M+CH3COO]- 269.05140 150.9
[M+Na-2H]- 231.01222 142.4
[M]+ 210.03700 136.7
[M]- 210.03810 136.7
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.