CID 393817

Nsc696596

Structural Information

Molecular Formula
C16H10F5NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)C(F)(F)F)O)(F)F
InChI
InChI=1S/C16H10F5NO2/c17-15(18,14-22-11-3-1-2-4-12(11)24-14)13(23)9-5-7-10(8-6-9)16(19,20)21/h1-8,13,23H
InChIKey
MIWUMKSCGWRGMS-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.06317 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07045 171.6
[M+Na]+ 366.05239 182.0
[M-H]- 342.05589 171.8
[M+NH4]+ 361.09699 184.4
[M+K]+ 382.02633 177.2
[M+H-H2O]+ 326.06043 160.6
[M+HCOO]- 388.06137 184.3
[M+CH3COO]- 402.07702 206.6
[M+Na-2H]- 364.03784 176.4
[M]+ 343.06262 168.0
[M]- 343.06372 168.0
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.