CID 13712997

6-(trifluoromethoxy)-1h-indazole

Structural Information

Molecular Formula

C₈H₅F₃N₂O

SMILES

C1=CC2=C(C=C1OC(F)(F)F)NN=C2

InChI

InChI=1S/C8H5F3N2O/c9-8(10,11)14-6-2-1-5-4-12-13-7(5)3-6/h1-4H,(H,12,13)

InChIKey

YXUMGPCNHDVHBV-UHFFFAOYSA-N

Compound name

6-(trifluoromethoxy)-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 202.0354 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.04268	135.4
[M+Na]+	225.02462	146.8
[M-H]-	201.02812	132.9
[M+NH4]+	220.06922	154.3
[M+K]+	240.99856	142.7
[M+H-H2O]+	185.03266	126.5
[M+HCOO]-	247.03360	153.7
[M+CH3COO]-	261.04925	179.3
[M+Na-2H]-	223.01007	143.5
[M]+	202.03485	133.0
[M]-	202.03595	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe