CID 43145500

1-(1-bromoethyl)-4-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C9H9BrF2O
SMILES
CC(C1=CC=C(C=C1)OC(F)F)Br
InChI
InChI=1S/C9H9BrF2O/c1-6(10)7-2-4-8(5-3-7)13-9(11)12/h2-6,9H,1H3
InChIKey
ZXVUIFFRJULZMX-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

249.98048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98776 146.8
[M+Na]+ 272.96970 157.7
[M-H]- 248.97320 150.6
[M+NH4]+ 268.01430 167.5
[M+K]+ 288.94364 147.2
[M+H-H2O]+ 232.97774 145.3
[M+HCOO]- 294.97868 165.0
[M+CH3COO]- 308.99433 191.6
[M+Na-2H]- 270.95515 151.3
[M]+ 249.97993 163.4
[M]- 249.98103 163.4
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

patents stripe