CID 39242197

885280-13-7

Structural Information

Molecular Formula
C10H8FNOS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CO)F
InChI
InChI=1S/C10H8FNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
InChIKey
QTKNJWCGPSLBSS-UHFFFAOYSA-N
Compound name
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

209.03107 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03835 139.9
[M+Na]+ 232.02029 150.4
[M-H]- 208.02379 143.8
[M+NH4]+ 227.06489 159.6
[M+K]+ 247.99423 145.9
[M+H-H2O]+ 192.02833 132.9
[M+HCOO]- 254.02927 157.9
[M+CH3COO]- 268.04492 153.4
[M+Na-2H]- 230.00574 141.9
[M]+ 209.03052 140.7
[M]- 209.03162 140.7
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

patents stripe