CID 43560396

1156170-01-2

Structural Information

Molecular Formula

C₁₀H₁₀BrFO

SMILES

C1CC1COC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C10H10BrFO/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6H2

InChIKey

DMBRHDBGDYLULL-UHFFFAOYSA-N

Compound name

2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 243.98991 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]+	244.99719	143.3
[M+Na]+	266.97913	156.9
[M-H]-	242.98263	152.3
[M+NH4]+	262.02373	160.2
[M+K]+	282.95307	145.5
[M+H-H2O]+	226.98717	141.9
[M+HCOO]-	288.98811	164.7
[M+CH3COO]-	303.00376	192.8
[M+Na-2H]-	264.96458	150.3
[M]+	243.98936	163.3
[M]-	243.99046	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe