CID 66521203

2-bromo-1-cyclopropyl-4-fluorobenzene

Structural Information

Molecular Formula
C9H8BrF
SMILES
C1CC1C2=C(C=C(C=C2)F)Br
InChI
InChI=1S/C9H8BrF/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6H,1-2H2
InChIKey
QPLHBELYGUNHNU-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopropyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

213.97934 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.986616 135.2
[M+Na]+ 236.968558 149.4
[M-H]- 212.972064 144.5
[M+NH4]+ 232.013163 153.4
[M+K]+ 252.942498 138.0
[M+H-H2O]+ 196.976600 134.3
[M+HCOO]- 258.977541 156.9
[M+CH3COO]- 272.993191 188.4
[M+Na-2H]- 234.954006 143.0
[M]+ 213.97879142 153.6
[M]- 213.97988858 153.6
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