CID 125498820

1446485-40-0

Structural Information

Molecular Formula
C10H14BF2NO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)C(F)F
InChI
InChI=1S/C10H14BF2NO2S/c1-9(2)10(3,4)16-11(15-9)6-5-14-8(17-6)7(12)13/h5,7H,1-4H3
InChIKey
CCOWUVHOQSLICV-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08063 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08791 146.9
[M+Na]+ 284.06985 157.6
[M-H]- 260.07335 152.2
[M+NH4]+ 279.11445 168.5
[M+K]+ 300.04379 158.0
[M+H-H2O]+ 244.07789 142.3
[M+HCOO]- 306.07883 160.7
[M+CH3COO]- 320.09448 192.9
[M+Na-2H]- 282.05530 147.6
[M]+ 261.08008 150.0
[M]- 261.08118 150.0
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.