CID 22038224

1-(1-bromopropan-2-yl)-4-fluorobenzene

Structural Information

Molecular Formula
C9H10BrF
SMILES
CC(CBr)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H10BrF/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKey
KCCIVVCMLFKSPS-UHFFFAOYSA-N
Compound name
1-(1-bromopropan-2-yl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00228 139.2
[M+Na]+ 238.98422 150.5
[M-H]- 214.98772 144.4
[M+NH4]+ 234.02882 161.6
[M+K]+ 254.95816 139.7
[M+H-H2O]+ 198.99226 139.0
[M+HCOO]- 260.99320 159.3
[M+CH3COO]- 275.00885 186.5
[M+Na-2H]- 236.96967 145.8
[M]+ 215.99445 156.3
[M]- 215.99555 156.3
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