CID 219668

2-bromo-1,3,4,5-tetramethyl-benzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=CC(=C(C(=C1C)C)Br)C
InChI
InChI=1S/C10H13Br/c1-6-5-7(2)10(11)9(4)8(6)3/h5H,1-4H3
InChIKey
OYAFABIVQFUGMR-UHFFFAOYSA-N
Compound name
2-bromo-1,3,4,5-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

212.02007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.027346 136.2
[M+Na]+ 235.009288 150.0
[M-H]- 211.012794 143.6
[M+NH4]+ 230.053893 159.8
[M+K]+ 250.983228 139.0
[M+H-H2O]+ 195.017330 137.2
[M+HCOO]- 257.018271 157.9
[M+CH3COO]- 271.033921 189.2
[M+Na-2H]- 232.994736 142.4
[M]+ 212.01952142 156.4
[M]- 212.02061858 156.4
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