CID 20223838

4-(1-bromoethyl)-2-fluoro-1-methylbenzene

Structural Information

Molecular Formula
C9H10BrF
SMILES
CC1=C(C=C(C=C1)C(C)Br)F
InChI
InChI=1S/C9H10BrF/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,7H,1-2H3
InChIKey
DFCXORLZUNYZKU-UHFFFAOYSA-N
Compound name
4-(1-bromoethyl)-2-fluoro-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00228 138.2
[M+Na]+ 238.98422 150.4
[M-H]- 214.98772 143.8
[M+NH4]+ 234.02882 160.9
[M+K]+ 254.95816 139.6
[M+H-H2O]+ 198.99226 138.2
[M+HCOO]- 260.99320 158.3
[M+CH3COO]- 275.00885 187.5
[M+Na-2H]- 236.96967 144.2
[M]+ 215.99445 155.7
[M]- 215.99555 155.7
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