CID 11367905

87736-88-7

Structural Information

Molecular Formula

C₉H₇F₃N₂O

SMILES

C1=CC(=CC=C1CO)C2(N=N2)C(F)(F)F

InChI

InChI=1S/C9H7F3N2O/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-4,15H,5H2

InChIKey

UZHHTEASLDJYBO-UHFFFAOYSA-N

Compound name

[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 55
Patents: 216.05104 Da
Monoisotopic Mass: 2.0
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]+	217.05832	152.2
[M+Na]+	239.04026	162.4
[M+NH4]+	234.08486	158.6
[M+K]+	255.01420	157.7
[M-H]-	215.04376	155.3
[M+Na-2H]-	237.02571	160.5
[M]+	216.05049	155.3
[M]-	216.05159	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe