CID 15390420

150194-52-8

Structural Information

Molecular Formula
C11H10BrF2N3O
SMILES
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CBr)O
InChI
InChI=1S/C11H10BrF2N3O/c12-4-11(18,5-17-7-15-6-16-17)9-2-1-8(13)3-10(9)14/h1-3,6-7,18H,4-5H2
InChIKey
CFMLSIOEVNQGQY-UHFFFAOYSA-N
Compound name
1-bromo-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.99753 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00481 162.3
[M+Na]+ 339.98675 174.8
[M-H]- 315.99025 164.6
[M+NH4]+ 335.03135 177.9
[M+K]+ 355.96069 162.3
[M+H-H2O]+ 299.99479 159.2
[M+HCOO]- 361.99573 177.5
[M+CH3COO]- 376.01138 198.0
[M+Na-2H]- 337.97220 167.8
[M]+ 316.99698 179.0
[M]- 316.99808 179.0
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.