CID 21532368

1-(1-bromoethyl)-3,5-dimethylbenzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=CC(=CC(=C1)C(C)Br)C
InChI
InChI=1S/C10H13Br/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6,9H,1-3H3
InChIKey
ZQOZWFVEYFQCHD-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

212.02007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 138.7
[M+Na]+ 235.00929 150.6
[M-H]- 211.01279 145.5
[M+NH4]+ 230.05389 161.7
[M+K]+ 250.98323 139.9
[M+H-H2O]+ 195.01733 139.5
[M+HCOO]- 257.01827 159.5
[M+CH3COO]- 271.03392 187.8
[M+Na-2H]- 232.99474 144.9
[M]+ 212.01952 157.7
[M]- 212.02062 157.7
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