CID 84723695

1-bromo-4-(1-fluorocyclopropyl)benzene

Structural Information

Molecular Formula
C9H8BrF
SMILES
C1CC1(C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C9H8BrF/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4H,5-6H2
InChIKey
GRHOXNNMMTYMNT-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-fluorocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

213.97934 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98662 135.5
[M+Na]+ 236.96856 149.5
[M-H]- 212.97206 144.9
[M+NH4]+ 232.01316 155.2
[M+K]+ 252.94250 139.1
[M+H-H2O]+ 196.97660 135.5
[M+HCOO]- 258.97754 157.0
[M+CH3COO]- 272.99319 187.0
[M+Na-2H]- 234.95401 144.8
[M]+ 213.97879 154.1
[M]- 213.97989 154.1
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