CID 599961

113787-85-2

Structural Information

Molecular Formula

C₈H₅F₃N₂O

SMILES

C1=CC(=CC(=C1)O)C2(N=N2)C(F)(F)F

InChI

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

InChIKey

BGENIUKSOIBFBA-UHFFFAOYSA-N

Compound name

3-[3-(trifluoromethyl)diazirin-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.0354 Da
Monoisotopic Mass: 2.6
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	148.6
[M+Na]+	225.02462	159.0
[M+NH4]+	220.06922	155.1
[M+K]+	240.99856	154.4
[M-H]-	201.02812	151.7
[M+Na-2H]-	223.01007	157.1
[M]+	202.03485	151.8
[M]-	202.03595	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe